ethyl 4-[3-[(4-methoxyphenyl)carbamothioyl-phenethyl-amino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[3-[(4-methoxyphenyl)carbamothioyl-phenethyl-amino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[3-[(4-methoxyphenyl)carbamothioyl-phenethyl-amino]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[[(4-methoxyanilino)-sulfanylidenemethyl]-phenethylamino]-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(4-methoxyphenyl)carbamothioyl-phenethylamino]-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[2,5-diketo-3-[(4-methoxyphenyl)thiocarbamoyl-phenethyl-amino]pyrrolidino]benzoic acid ethyl ester Formula: C29H29N3O5S MolecularWeight: 531.62266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CCC3=CC=CC=C3)C(=S)NC4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CCC3=CC=CC=C3)C(=S)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C29H29N3O5S/c1-3-37-28(35)21-9-13-23(14-10-21)32-26(33)19-25(27(32)34)31(18-17-20-7-5-4-6-8-20)29(38)30-22-11-15-24(36-2)16-12-22/h4-16,25H,3,17-19H2,1-2H3,(H,30,38)