tert-butyl 4-[5-ethoxycarbonyl-4-[[C-methylsulfanyl-N-(phenylcarbonyl)carbonimidoyl]amino]-1H-pyrrol-3-yl]-2,2,6-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate

Systemtic Name: tert-butyl 4-[5-ethoxycarbonyl-4-[[C-methylsulfanyl-N-(phenylcarbonyl)carbonimidoyl]amino]-1H-pyrrol-3-yl]-2,2,6-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate Openeye Name: tert-butyl 4-[4-[(N-benzoyl-C-methylsulfanyl-carbonimidoyl)amino]-5-ethoxycarbonyl-1H-pyrrol-3-yl]-2,2,6-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate CAS Name: 4-[4-[[benzoylimino-(methylthio)methyl]amino]-5-ethoxycarbonyl-1H-pyrrol-3-yl]-2,2,6-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(N-benzoyl-C-methylsulfanylcarbonimidoyl)amino]-5-ethoxycarbonyl-1H-pyrrol-3-yl]-2,2,6-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate Traditional Name: 4-[4-[[N-benzoyl-C-(methylthio)carbonimidoyl]amino]-5-carbethoxy-1H-pyrrol-3-yl]-2,2,6-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylic acid tert-butyl ester Formula: C29H38N4O7S MolecularWeight: 586.69962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CN1)C2C3C(C(N2C(=O)OC(C)(C)C)C)OC(O3)(C)C)NC(=NC(=O)C4=CC=CC=C4)SC

Isomeric SMILES

CCOC(=O)C1=C(C(=CN1)C2C3C(C(N2C(=O)OC(C)(C)C)C)OC(O3)(C)C)NC(=NC(=O)C4=CC=CC=C4)SC

InChI

InChI=1S/C29H38N4O7S/c1-9-37-25(35)20-19(31-26(41-8)32-24(34)17-13-11-10-12-14-17)18(15-30-20)21-23-22(38-29(6,7)39-23)16(2)33(21)27(36)40-28(3,4)5/h10-16,21-23,30H,9H2,1-8H3,(H,31,32,34)