[2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-butoxycarbonylanilino)-2-oxo-ethyl] 1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-3-pyrrolidinecarboxylic acid [2-[4-[butoxy(oxo)methyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-butoxycarbonylanilino)-2-oxoethyl] 1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 5-keto-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxylic acid [2-(4-butoxycarbonylanilino)-2-keto-ethyl] ester Formula: C26H27N3O7S MolecularWeight: 525.57348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2CC(=O)N(C2)C3=NC4=C(S3)C=C(C=C4)OC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2CC(=O)N(C2)C3=NC4=C(S3)C=C(C=C4)OC

InChI

InChI=1S/C26H27N3O7S/c1-3-4-11-35-24(32)16-5-7-18(8-6-16)27-22(30)15-36-25(33)17-12-23(31)29(14-17)26-28-20-10-9-19(34-2)13-21(20)37-26/h5-10,13,17H,3-4,11-12,14-15H2,1-2H3,(H,27,30)