ethyl 3-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethylcarbamoylamino]benzoate

Systemtic Name: ethyl 3-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethylcarbamoylamino]benzoate Openeye Name: ethyl 3-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)ethylcarbamoylamino]benzoate CAS Name: 3-[[oxo-[1-[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethylamino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethylcarbamoylamino]benzoate Traditional Name: 3-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)ethylcarbamoylamino]benzoic acid ethyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)NC(C)C2=C(SC3=C2CCCC3)N4C=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)NC(C)C2=C(SC3=C2CCCC3)N4C=CC=C4

InChI

InChI=1S/C24H27N3O3S/c1-3-30-23(28)17-9-8-10-18(15-17)26-24(29)25-16(2)21-19-11-4-5-12-20(19)31-22(21)27-13-6-7-14-27/h6-10,13-16H,3-5,11-12H2,1-2H3,(H2,25,26,29)