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

Systemtic Name: [2-[(2-ethoxycarbonyl-5-phenyl-thiophen-3-yl)amino]-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate Openeye Name: [2-[(2-ethoxycarbonyl-5-phenyl-3-thienyl)amino]-2-oxo-ethyl] 2-allyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxylic acid [2-[(2-ethoxycarbonyl-5-phenyl-3-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-ethoxycarbonyl-5-phenylthiophen-3-yl)amino]-2-oxoethyl] 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate Traditional Name: 2-allyl-1,3-diketo-isoindoline-5-carboxylic acid [2-[(2-carbethoxy-5-phenyl-3-thienyl)amino]-2-keto-ethyl] ester Formula: C27H22N2O7S MolecularWeight: 518.53778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)COC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC=C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)COC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC=C

InChI

InChI=1S/C27H22N2O7S/c1-3-12-29-24(31)18-11-10-17(13-19(18)25(29)32)26(33)36-15-22(30)28-20-14-21(16-8-6-5-7-9-16)37-23(20)27(34)35-4-2/h3,5-11,13-14H,1,4,12,15H2,2H3,(H,28,30)