phenethyl 4-methylidene-2-oxidanylidene-6-thiophen-2-yl-1,3-diazinane-5-carboxylate

Systemtic Name: phenethyl 4-methylidene-2-oxidanylidene-6-thiophen-2-yl-1,3-diazinane-5-carboxylate Openeye Name: phenethyl 4-methylene-2-oxo-6-(2-thienyl)hexahydropyrimidine-5-carboxylate CAS Name: 4-methylene-2-oxo-6-thiophen-2-yl-1,3-diazinane-5-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-methylidene-2-oxo-6-thiophen-2-yl-1,3-diazinane-5-carboxylate Traditional Name: 2-keto-4-methylene-6-(2-thienyl)hexahydropyrimidine-5-carboxylic acid phenethyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=O)N1)C2=CC=CS2)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C=C1C(C(NC(=O)N1)C2=CC=CS2)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O3S/c1-12-15(16(20-18(22)19-12)14-8-5-11-24-14)17(21)23-10-9-13-6-3-2-4-7-13/h2-8,11,15-16H,1,9-10H2,(H2,19,20,22)