methyl 3-(phenylcarbonylcarbamothioylamino)-4-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 3-(phenylcarbonylcarbamothioylamino)-4-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxylate Openeye Name: methyl 3-(benzoylcarbamothioylamino)-4-(2-thienylmethyl)-1H-pyrrole-2-carboxylate CAS Name: 3-[[benzamido(sulfanylidene)methyl]amino]-4-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(benzoylcarbamothioylamino)-4-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxylate Traditional Name: 3-(benzoylthiocarbamoylamino)-4-(2-thenyl)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C19H17N3O3S2 MolecularWeight: 399.48658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CN1)CC2=CC=CS2)NC(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C(=CN1)CC2=CC=CS2)NC(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H17N3O3S2/c1-25-18(24)16-15(13(11-20-16)10-14-8-5-9-27-14)21-19(26)22-17(23)12-6-3-2-4-7-12/h2-9,11,20H,10H2,1H3,(H2,21,22,23,26)