methyl 4-chloranyl-2-[1-(4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)ethylcarbamoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-2-[1-(4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)ethylcarbamoylamino]benzoate Openeye Name: methyl 4-chloro-2-[1-(4,5-dimethyl-2-pyrrol-1-yl-3-thienyl)ethylcarbamoylamino]benzoate CAS Name: 4-chloro-2-[[[1-[4,5-dimethyl-2-(1-pyrrolyl)-3-thiophenyl]ethylamino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[1-(4,5-dimethyl-2-pyrrol-1-ylthiophen-3-yl)ethylcarbamoylamino]benzoate Traditional Name: 4-chloro-2-[1-(4,5-dimethyl-2-pyrrol-1-yl-3-thienyl)ethylcarbamoylamino]benzoic acid methyl ester Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(C)NC(=O)NC2=C(C=CC(=C2)Cl)C(=O)OC)N3C=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(C)NC(=O)NC2=C(C=CC(=C2)Cl)C(=O)OC)N3C=CC=C3)C

InChI

InChI=1S/C21H22ClN3O3S/c1-12-14(3)29-19(25-9-5-6-10-25)18(12)13(2)23-21(27)24-17-11-15(22)7-8-16(17)20(26)28-4/h5-11,13H,1-4H3,(H2,23,24,27)