dimethyl 2-(1-methylpyridin-4-ylidene)-3-sulfanylidene-butanedioate

Systemtic Name: dimethyl 2-(1-methylpyridin-4-ylidene)-3-sulfanylidene-butanedioate Openeye Name: dimethyl 2-(1-methyl-4-pyridylidene)-3-thioxo-butanedioate CAS Name: 2-(1-methyl-4-pyridinylidene)-3-sulfanylidenebutanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(1-methylpyridin-4-ylidene)-3-sulfanylidenebutanedioate Traditional Name: 2-(1-methyl-4-pyridylidene)-3-thioxo-succinic acid dimethyl ester Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C(C(=S)C(=O)OC)C(=O)OC)C=C1

Isomeric SMILES

CN1C=CC(=C(C(=S)C(=O)OC)C(=O)OC)C=C1

InChI

InChI=1S/C12H13NO4S/c1-13-6-4-8(5-7-13)9(11(14)16-2)10(18)12(15)17-3/h4-7H,1-3H3