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

Systemtic Name: methyl 4-chloranyl-2-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethylcarbamoylamino]benzoate Openeye Name: methyl 4-chloro-2-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)ethylcarbamoylamino]benzoate CAS Name: 4-chloro-2-[[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-chloro-2-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethylcarbamoylamino]benzoate Traditional Name: 4-chloro-2-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)ethylcarbamoylamino]benzoic acid methyl ester Formula: C23H24ClN3O3S MolecularWeight: 457.97296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN3O3S/c1-14(25-23(29)26-18-13-15(24)9-10-16(18)22(28)30-2)20-17-7-3-4-8-19(17)31-21(20)27-11-5-6-12-27/h5-6,9-14H,3-4,7-8H2,1-2H3,(H2,25,26,29)