methyl 5-cyano-4-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-4-carboxylate

Systemtic Name: methyl 5-cyano-4-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 5-cyano-4-[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]-6-oxo-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 5-cyano-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 5-cyano-6-keto-4-[2-keto-2-(2-methyl-1H-indol-3-yl)ethyl]-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)CC3(C(C(=O)NC(=S)N3)C#N)C(=O)OC

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)CC3(C(C(=O)NC(=S)N3)C#N)C(=O)OC

InChI

InChI=1S/C18H16N4O4S/c1-9-14(10-5-3-4-6-12(10)20-9)13(23)7-18(16(25)26-2)11(8-19)15(24)21-17(27)22-18/h3-6,11,20H,7H2,1-2H3,(H2,21,22,24,27)