methyl 4-[(3S)-3-[2-(1H-benzimidazol-2-yl)ethylsulfanyl]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: methyl 4-[(3S)-3-[2-(1H-benzimidazol-2-yl)ethylsulfanyl]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: methyl 4-[(3S)-3-[2-(1H-benzimidazol-2-yl)ethylsulfanyl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[(3S)-3-[2-(1H-benzimidazol-2-yl)ethylthio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3S)-3-[2-(1H-benzimidazol-2-yl)ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[(3S)-3-[2-(1H-benzimidazol-2-yl)ethylthio]-2,5-diketo-pyrrolidino]benzoic acid methyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SCCC3=NC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)SCCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H19N3O4S/c1-28-21(27)13-6-8-14(9-7-13)24-19(25)12-17(20(24)26)29-11-10-18-22-15-4-2-3-5-16(15)23-18/h2-9,17H,10-12H2,1H3,(H,22,23)/t17-/m0/s1