methyl (5S,6S)-4-methylidene-6-(4-propoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: methyl (5S,6S)-4-methylidene-6-(4-propoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl (5S,6S)-4-methylene-6-(4-propoxyphenyl)-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (5S,6S)-4-methylene-6-(4-propoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (5S,6S)-4-methylidene-6-(4-propoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (5S,6S)-4-methylene-6-(4-propoxyphenyl)-2-thioxo-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2C(C(=C)NC(=S)N2)C(=O)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@@H]2[C@@H](C(=C)NC(=S)N2)C(=O)OC

InChI

InChI=1S/C16H20N2O3S/c1-4-9-21-12-7-5-11(6-8-12)14-13(15(19)20-3)10(2)17-16(22)18-14/h5-8,13-14H,2,4,9H2,1,3H3,(H2,17,18,22)/t13-,14-/m1/s1