ethyl 5-cyano-2-methyl-5-prop-2-enyl-6-sulfanylidene-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-5-prop-2-enyl-6-sulfanylidene-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-allyl-5-cyano-2-methyl-4-(2-thienyl)-6-thioxo-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-5-prop-2-enyl-6-sulfanylidene-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-5-prop-2-enyl-6-sulfanylidene-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-allyl-5-cyano-2-methyl-4-(2-thienyl)-6-thioxo-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C17H18N2O2S2 MolecularWeight: 346.46702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)C(C1C2=CC=CS2)(CC=C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)C(C1C2=CC=CS2)(CC=C)C#N)C

InChI

InChI=1S/C17H18N2O2S2/c1-4-8-17(10-18)14(12-7-6-9-23-12)13(15(20)21-5-2)11(3)19-16(17)22/h4,6-7,9,14H,1,5,8H2,2-3H3,(H,19,22)