dimethyl 2-[(3S)-3-(2-aminophenyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(3S)-3-(2-aminophenyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(3S)-3-(2-aminophenyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzene-1,4-dicarboxylate CAS Name: 2-[(3S)-3-[(2-aminophenyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(3S)-3-(2-aminophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzene-1,4-dicarboxylate Traditional Name: 2-[(3S)-3-[(2-aminophenyl)thio]-2,5-diketo-pyrrolidino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)N2C(=O)CC(C2=O)SC3=CC=CC=C3N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)N2C(=O)C[C@@H](C2=O)SC3=CC=CC=C3N

InChI

InChI=1S/C20H18N2O6S/c1-27-19(25)11-7-8-12(20(26)28-2)14(9-11)22-17(23)10-16(18(22)24)29-15-6-4-3-5-13(15)21/h3-9,16H,10,21H2,1-2H3/t16-/m0/s1