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

Systemtic Name: methyl 4-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethylcarbamoylamino]benzoate Openeye Name: methyl 4-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)ethylcarbamoylamino]benzoate CAS Name: 4-[[oxo-[1-[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethylamino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethylcarbamoylamino]benzoate Traditional Name: 4-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)ethylcarbamoylamino]benzoic acid methyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(SC2=C1CCCC2)N3C=CC=C3)NC(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC(C1=C(SC2=C1CCCC2)N3C=CC=C3)NC(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H25N3O3S/c1-15(24-23(28)25-17-11-9-16(10-12-17)22(27)29-2)20-18-7-3-4-8-19(18)30-21(20)26-13-5-6-14-26/h5-6,9-15H,3-4,7-8H2,1-2H3,(H2,24,25,28)