(2-benzamido-2-oxidanylidene-ethyl) 2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid (2-benzamido-2-keto-ethyl) ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)C(=O)OCC(=O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)C(=O)OCC(=O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O4S/c25-18(23-20(26)15-8-2-1-3-9-15)14-28-22(27)19-16-10-4-5-11-17(16)29-21(19)24-12-6-7-13-24/h1-3,6-9,12-13H,4-5,10-11,14H2,(H,23,25,26)