methyl 4-[[6-[(4-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)amino]-6-sulfanylidene-hexanethioyl]amino]-2-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 4-[[6-[(4-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)amino]-6-sulfanylidene-hexanethioyl]amino]-2-methyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 4-[[6-[(4-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)amino]-6-thioxo-hexanethioyl]amino]-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[6-[(4-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)amino]-1,6-bis(sulfanylidene)hexyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[[6-[(4-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)amino]-6-sulfanylidenehexanethioyl]amino]-2-methyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[[6-[(4-carbomethoxy-5-methyl-1H-pyrrol-3-yl)amino]-6-thioxo-hexanethioyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H26N4O4S2 MolecularWeight: 450.57484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CN1)NC(=S)CCCCC(=S)NC2=CNC(=C2C(=O)OC)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=CN1)NC(=S)CCCCC(=S)NC2=CNC(=C2C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C20H26N4O4S2/c1-11-17(19(25)27-3)13(9-21-11)23-15(29)7-5-6-8-16(30)24-14-10-22-12(2)18(14)20(26)28-4/h9-10,21-22H,5-8H2,1-4H3,(H,23,29)(H,24,30)