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

Systemtic Name: methyl 4-(furan-2-ylmethyl)-3-(phenylcarbonylcarbamothioylamino)-1H-pyrrole-2-carboxylate Openeye Name: methyl 3-(benzoylcarbamothioylamino)-4-(2-furylmethyl)-1H-pyrrole-2-carboxylate CAS Name: 3-[[benzamido(sulfanylidene)methyl]amino]-4-(2-furanylmethyl)-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(benzoylcarbamothioylamino)-4-(furan-2-ylmethyl)-1H-pyrrole-2-carboxylate Traditional Name: 3-(benzoylthiocarbamoylamino)-4-(2-furfuryl)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CN1)CC2=CC=CO2)NC(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C(=CN1)CC2=CC=CO2)NC(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H17N3O4S/c1-25-18(24)16-15(13(11-20-16)10-14-8-5-9-26-14)21-19(27)22-17(23)12-6-3-2-4-7-12/h2-9,11,20H,10H2,1H3,(H2,21,22,23,27)