ethyl 4-[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl 4-[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl 4-[4-(2-amino-2-oxo-ethoxy)phenyl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-[4-(2-amino-2-oxoethoxy)phenyl]-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-amino-2-oxoethoxy)phenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 4-[4-(2-amino-2-keto-ethoxy)phenyl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=S)NC1=C)C2=CC=C(C=C2)OCC(=O)N

Isomeric SMILES

CCOC(=O)C1C(NC(=S)NC1=C)C2=CC=C(C=C2)OCC(=O)N

InChI

InChI=1S/C16H19N3O4S/c1-3-22-15(21)13-9(2)18-16(24)19-14(13)10-4-6-11(7-5-10)23-8-12(17)20/h4-7,13-14H,2-3,8H2,1H3,(H2,17,20)(H2,18,19,24)