methyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-(3-nitrophenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-(3-nitrophenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methoxy-2-oxo-ethyl)-2-(3-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxy-2-oxoethyl)-2-[(3-nitrophenyl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methoxy-2-oxoethyl)-2-(3-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-keto-2-methoxy-ethyl)-2-(3-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H15N3O7S MolecularWeight: 429.4033

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O7S/c1-28-16(23)10-21-14-7-6-12(18(25)29-2)9-15(14)30-19(21)20-17(24)11-4-3-5-13(8-11)22(26)27/h3-9H,10H2,1-2H3