ethyl (6S)-4-methyl-6-(4-nitrophenyl)-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-4-methyl-6-(4-nitrophenyl)-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-allyl-4-methyl-6-(4-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-4-methyl-6-(4-nitrophenyl)-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-4-methyl-6-(4-nitrophenyl)-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-allyl-4-methyl-6-(4-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)[N+](=O)[O-])CC=C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@H]1C2=CC=C(C=C2)[N+](=O)[O-])CC=C)C

InChI

InChI=1S/C17H19N3O4S/c1-4-10-19-11(3)14(16(21)24-5-2)15(18-17(19)25)12-6-8-13(9-7-12)20(22)23/h4,6-9,15H,1,5,10H2,2-3H3,(H,18,25)/t15-/m0/s1