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

Systemtic Name: 2-methoxyethyl (5S,6R)-4-methylidene-2-sulfanylidene-6-thiophen-2-yl-1,3-diazinane-5-carboxylate Openeye Name: 2-methoxyethyl (5S,6R)-4-methylene-6-(2-thienyl)-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (5S,6R)-4-methylene-2-sulfanylidene-6-thiophen-2-yl-1,3-diazinane-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (5S,6R)-4-methylidene-2-sulfanylidene-6-thiophen-2-yl-1,3-diazinane-5-carboxylate Traditional Name: (5S,6R)-4-methylene-6-(2-thienyl)-2-thioxo-hexahydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C13H16N2O3S2 MolecularWeight: 312.40774

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C1C(NC(=S)NC1=C)C2=CC=CS2

Isomeric SMILES

COCCOC(=O)[C@H]1[C@@H](NC(=S)NC1=C)C2=CC=CS2

InChI

InChI=1S/C13H16N2O3S2/c1-8-10(12(16)18-6-5-17-2)11(15-13(19)14-8)9-4-3-7-20-9/h3-4,7,10-11H,1,5-6H2,2H3,(H2,14,15,19)/t10-,11+/m1/s1