methyl 4-[[C-[2,5-bis(oxidanylidene)-1-phenethyl-pyrrolidin-3-yl]sulfanyl-N-methyl-carbonimidoyl]amino]benzoate

Systemtic Name: methyl 4-[[C-[2,5-bis(oxidanylidene)-1-phenethyl-pyrrolidin-3-yl]sulfanyl-N-methyl-carbonimidoyl]amino]benzoate Openeye Name: methyl 4-[[C-(2,5-dioxo-1-phenethyl-pyrrolidin-3-yl)sulfanyl-N-methyl-carbonimidoyl]amino]benzoate CAS Name: 4-[[[(2,5-dioxo-1-phenethyl-3-pyrrolidinyl)thio]-methyliminomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[C-(2,5-dioxo-1-phenethylpyrrolidin-3-yl)sulfanyl-N-methylcarbonimidoyl]amino]benzoate Traditional Name: 4-[[C-[(2,5-diketo-1-phenethyl-pyrrolidin-3-yl)thio]-N-methyl-carbonimidoyl]amino]benzoic acid methyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC1=CC=C(C=C1)C(=O)OC)SC2CC(=O)N(C2=O)CCC3=CC=CC=C3

Isomeric SMILES

CN=C(NC1=CC=C(C=C1)C(=O)OC)SC2CC(=O)N(C2=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4S/c1-23-22(24-17-10-8-16(9-11-17)21(28)29-2)30-18-14-19(26)25(20(18)27)13-12-15-6-4-3-5-7-15/h3-11,18H,12-14H2,1-2H3,(H,23,24)