methyl 3-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[1-(m-tolylmethyl)pyrrol-2-yl]methylcarbamoylamino]thiophene-2-carboxylate CAS Name: 3-[[[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methylamino]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]thiophene-2-carboxylate Traditional Name: 3-[[1-(3-methylbenzyl)pyrrol-2-yl]methylcarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=CC=C2CNC(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=CC=C2CNC(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C20H21N3O3S/c1-14-5-3-6-15(11-14)13-23-9-4-7-16(23)12-21-20(25)22-17-8-10-27-18(17)19(24)26-2/h3-11H,12-13H2,1-2H3,(H2,21,22,25)