2-methoxyethyl (5R,6S)-4-methylidene-6-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=C)NC(=S)N2)C(=O)OCCOC

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)OCCOC

InChI

InChI=1S/C16H20N2O3S/c1-10-4-6-12(7-5-10)14-13(11(2)17-16(22)18-14)15(19)21-9-8-20-3/h4-7,13-14H,2,8-9H2,1,3H3,(H2,17,18,22)/t13-,14+/m0/s1