[2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-butan-2-yl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-butan-2-yl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl] 1,3-dioxo-2-sec-butyl-isoindoline-5-carboxylate CAS Name: 2-butan-2-yl-1,3-dioxo-5-isoindolecarboxylic acid [2-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl] 2-butan-2-yl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-sec-butyl-isoindoline-5-carboxylic acid [2-[(3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C28H26N2O7S MolecularWeight: 534.58024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCC(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C28H26N2O7S/c1-4-16(3)30-25(32)19-12-11-18(13-20(19)26(30)33)27(34)37-14-22(31)29-24-23(28(35)36-5-2)21(15-38-24)17-9-7-6-8-10-17/h6-13,15-16H,4-5,14H2,1-3H3,(H,29,31)