methoxymethyl (3S)-2,2-dimethyl-6-[(4-nitrophenyl)methylideneamino]-7-oxidanylidene-3,4-dihydro-1,4-thiazepine-3-carboxylate

Systemtic Name: methoxymethyl (3S)-2,2-dimethyl-6-[(4-nitrophenyl)methylideneamino]-7-oxidanylidene-3,4-dihydro-1,4-thiazepine-3-carboxylate Openeye Name: methoxymethyl (3S)-2,2-dimethyl-6-[(4-nitrophenyl)methyleneamino]-7-oxo-3,4-dihydro-1,4-thiazepine-3-carboxylate CAS Name: (3S)-2,2-dimethyl-6-[(4-nitrophenyl)methylideneamino]-7-oxo-3,4-dihydro-1,4-thiazepine-3-carboxylic acid methoxymethyl ester IUPAC Name: methoxymethyl (3S)-2,2-dimethyl-6-[(4-nitrophenyl)methylideneamino]-7-oxo-3,4-dihydro-1,4-thiazepine-3-carboxylate Traditional Name: (3S)-7-keto-2,2-dimethyl-6-[(4-nitrobenzylidene)amino]-3,4-dihydro-1,4-thiazepine-3-carboxylic acid methoxymethyl ester Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(NC=C(C(=O)S1)N=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCOC)C

Isomeric SMILES

CC1([C@@H](NC=C(C(=O)S1)N=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCOC)C

InChI

InChI=1S/C17H19N3O6S/c1-17(2)14(15(21)26-10-25-3)19-9-13(16(22)27-17)18-8-11-4-6-12(7-5-11)20(23)24/h4-9,14,19H,10H2,1-3H3/t14-/m0/s1