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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CN1)CC2=CSC=C2)NC(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C(=CN1)CC2=CSC=C2)NC(=S)NC(=O)C3=CC=CC=C3

InChI

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