methyl 5-cyano-4-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-4-carboxylate

Systemtic Name: methyl 5-cyano-4-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 5-cyano-4-[2-(2-naphthyl)-2-oxo-ethyl]-6-oxo-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 5-cyano-4-[2-(2-naphthalenyl)-2-oxoethyl]-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-4-(2-naphthalen-2-yl-2-oxoethyl)-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 5-cyano-6-keto-4-[2-keto-2-(2-naphthyl)ethyl]-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C19H15N3O4S MolecularWeight: 381.4051

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(C(=O)NC(=S)N1)C#N)CC(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)C1(C(C(=O)NC(=S)N1)C#N)CC(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H15N3O4S/c1-26-17(25)19(14(10-20)16(24)21-18(27)22-19)9-15(23)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14H,9H2,1H3,(H2,21,22,24,27)