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

Systemtic Name: 2-methoxyethyl (4R,5R)-4-(1,3-benzodioxol-5-yl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-methoxyethyl (4R,5R)-4-(1,3-benzodioxol-5-yl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5R)-4-(1,3-benzodioxol-5-yl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4R,5R)-4-(1,3-benzodioxol-5-yl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5R)-4-(1,3-benzodioxol-5-yl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C16H18N2O5S MolecularWeight: 350.38952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C1C(NC(=S)NC1=C)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COCCOC(=O)[C@@H]1[C@@H](NC(=S)NC1=C)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H18N2O5S/c1-9-13(15(19)21-6-5-20-2)14(18-16(24)17-9)10-3-4-11-12(7-10)23-8-22-11/h3-4,7,13-14H,1,5-6,8H2,2H3,(H2,17,18,24)/t13-,14-/m0/s1