methyl 4-[(3-methoxyphenyl)methyl]-3-(phenylcarbonylcarbamothioylamino)-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[(3-methoxyphenyl)methyl]-3-(phenylcarbonylcarbamothioylamino)-1H-pyrrole-2-carboxylate Openeye Name: methyl 3-(benzoylcarbamothioylamino)-4-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-carboxylate CAS Name: 3-[[benzamido(sulfanylidene)methyl]amino]-4-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(benzoylcarbamothioylamino)-4-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-carboxylate Traditional Name: 3-(benzoylthiocarbamoylamino)-4-m-anisyl-1H-pyrrole-2-carboxylic acid methyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2=CNC(=C2NC(=S)NC(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)CC2=CNC(=C2NC(=S)NC(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H21N3O4S/c1-28-17-10-6-7-14(12-17)11-16-13-23-19(21(27)29-2)18(16)24-22(30)25-20(26)15-8-4-3-5-9-15/h3-10,12-13,23H,11H2,1-2H3,(H2,24,25,26,30)