ethyl 2-[2-(3-aminophenyl)carbonyloxypropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-aminophenyl)carbonyloxypropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3-aminobenzoyl)oxypropanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-aminophenyl)-oxomethoxy]-1-oxopropyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-aminobenzoyl)oxypropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(3-aminobenzoyl)oxypropanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O5S/c1-3-33-27(32)23-21-13-12-18(17-8-5-4-6-9-17)15-22(21)35-25(23)29-24(30)16(2)34-26(31)19-10-7-11-20(28)14-19/h4-11,14,16,18H,3,12-13,15,28H2,1-2H3,(H,29,30)