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

Systemtic Name: methyl 4-[1-(4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)ethylcarbamoylamino]benzoate Openeye Name: methyl 4-[1-(4,5-dimethyl-2-pyrrol-1-yl-3-thienyl)ethylcarbamoylamino]benzoate CAS Name: 4-[[[1-[4,5-dimethyl-2-(1-pyrrolyl)-3-thiophenyl]ethylamino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(4,5-dimethyl-2-pyrrol-1-ylthiophen-3-yl)ethylcarbamoylamino]benzoate Traditional Name: 4-[1-(4,5-dimethyl-2-pyrrol-1-yl-3-thienyl)ethylcarbamoylamino]benzoic acid methyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-13-15(3)28-19(24-11-5-6-12-24)18(13)14(2)22-21(26)23-17-9-7-16(8-10-17)20(25)27-4/h5-12,14H,1-4H3,(H2,22,23,26)