methyl (6S)-6-[3-(butanoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-6-[3-(butanoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-6-[3-(butanoylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3,4-dimethyl-6-[3-(1-oxobutylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-[3-(butanoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(3-butyramidophenyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=CC(=C1)C2C(=C(N(C(=S)N2)C)C)C(=O)OC

Isomeric SMILES

CCCC(=O)NC1=CC=CC(=C1)[C@H]2C(=C(N(C(=S)N2)C)C)C(=O)OC

InChI

InChI=1S/C18H23N3O3S/c1-5-7-14(22)19-13-9-6-8-12(10-13)16-15(17(23)24-4)11(2)21(3)18(25)20-16/h6,8-10,16H,5,7H2,1-4H3,(H,19,22)(H,20,25)/t16-/m0/s1