methyl 5-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylcarbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 5-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylcarbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-[3-[5-(4-chlorophenyl)-2-furyl]prop-2-enoylcarbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[[3-[5-(4-chlorophenyl)-2-furanyl]-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylcarbamothioylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[3-[5-(4-chlorophenyl)-2-furyl]acryloyl]thiocarbamoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C22H16ClN3O4S2 MolecularWeight: 485.96314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C=CC2=CC=C(O2)C3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C=CC2=CC=C(O2)C3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C22H16ClN3O4S2/c1-12-16(11-24)20(32-19(12)21(28)29-2)26-22(31)25-18(27)10-8-15-7-9-17(30-15)13-3-5-14(23)6-4-13/h3-10H,1-2H3,(H2,25,26,27,31)