ethyl (3S)-1-methoxy-3-methyl-2-oxidanylidene-3,5-dihydrothieno[2,3-e][1,4]diazepine-4-carboxylate

Systemtic Name: ethyl (3S)-1-methoxy-3-methyl-2-oxidanylidene-3,5-dihydrothieno[2,3-e][1,4]diazepine-4-carboxylate Openeye Name: ethyl (3S)-1-methoxy-3-methyl-2-oxo-3,5-dihydrothieno[2,3-e][1,4]diazepine-4-carboxylate CAS Name: (3S)-1-methoxy-3-methyl-2-oxo-3,5-dihydrothieno[2,3-e][1,4]diazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-methoxy-3-methyl-2-oxo-3,5-dihydrothieno[2,3-e][1,4]diazepine-4-carboxylate Traditional Name: (3S)-2-keto-1-methoxy-3-methyl-3,5-dihydrothieno[2,3-e][1,4]diazepine-4-carboxylic acid ethyl ester Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC2=C(N(C(=O)C1C)OC)SC=C2

Isomeric SMILES

CCOC(=O)N1CC2=C(N(C(=O)[C@@H]1C)OC)SC=C2

InChI

InChI=1S/C12H16N2O4S/c1-4-18-12(16)13-7-9-5-6-19-11(9)14(17-3)10(15)8(13)2/h5-6,8H,4,7H2,1-3H3/t8-/m0/s1