ethyl 2-[2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoyl]oxyethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoyl]oxyethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[2-(1,3-dioxoisoindolin-2-yl)-3-phenyl-propanoyl]oxyacetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[2-(1,3-dioxo-2-isoindolyl)-1-oxo-3-phenylpropoxy]-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]oxyacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[[2-(3-phenyl-2-phthalimido-propanoyl)oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C31H30N2O7S MolecularWeight: 574.6441

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)COC(=O)C(CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)COC(=O)C(CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C31H30N2O7S/c1-3-39-31(38)26-22-14-13-18(2)15-24(22)41-27(26)32-25(34)17-40-30(37)23(16-19-9-5-4-6-10-19)33-28(35)20-11-7-8-12-21(20)29(33)36/h4-12,18,23H,3,13-17H2,1-2H3,(H,32,34)