[2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-methylpyrrole-2-carboxylate

Systemtic Name: [2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-methylpyrrole-2-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-1-phenyl-ethyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxo-1-phenylethyl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [2-[(3-carbethoxy-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-1-phenyl-ethyl] ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C3=CC=CC=C3)OC(=O)C4=CC=CN4C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C3=CC=CC=C3)OC(=O)C4=CC=CN4C

InChI

InChI=1S/C26H28N2O5S/c1-4-32-26(31)21-18-13-12-16(2)15-20(18)34-24(21)27-23(29)22(17-9-6-5-7-10-17)33-25(30)19-11-8-14-28(19)3/h5-11,14,16,22H,4,12-13,15H2,1-3H3,(H,27,29)