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

Systemtic Name: 2-methoxyethyl (4R,5S)-4-(5-bromanyl-2-methoxy-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-methoxyethyl (4R,5S)-4-(5-bromo-2-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(5-bromo-2-methoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4R,5S)-4-(5-bromo-2-methoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(5-bromo-2-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C16H19BrN2O4S MolecularWeight: 415.30206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN2O4S/c1-9-13(15(20)23-7-6-21-2)14(19-16(24)18-9)11-8-10(17)4-5-12(11)22-3/h4-5,8,13-14H,1,6-7H2,2-3H3,(H2,18,19,24)/t13-,14+/m1/s1