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

Systemtic Name: ethyl 5-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylcarbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H18ClN3O4S2 MolecularWeight: 499.98972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC(=O)C=CC2=CC=C(O2)C3=CC=C(C=C3)Cl)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC(=O)C=CC2=CC=C(O2)C3=CC=C(C=C3)Cl)C#N)C

InChI

InChI=1S/C23H18ClN3O4S2/c1-3-30-22(29)20-13(2)17(12-25)21(33-20)27-23(32)26-19(28)11-9-16-8-10-18(31-16)14-4-6-15(24)7-5-14/h4-11H,3H2,1-2H3,(H2,26,27,28,32)