tert-butyl (4S,5R)-4-(3-ethoxy-4-oxidanyl-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: tert-butyl (4S,5R)-4-(3-ethoxy-4-oxidanyl-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: tert-butyl (4S,5R)-4-(3-ethoxy-4-hydroxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(3-ethoxy-4-hydroxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S,5R)-4-(3-ethoxy-4-hydroxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(3-ethoxy-4-hydroxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid tert-butyl ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(C(=C)NC(=S)N2)C(=O)OC(C)(C)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C18H24N2O4S/c1-6-23-13-9-11(7-8-12(13)21)15-14(10(2)19-17(25)20-15)16(22)24-18(3,4)5/h7-9,14-15,21H,2,6H2,1,3-5H3,(H2,19,20,25)/t14-,15+/m0/s1