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

Systemtic Name: methyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(3-nitrophenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-ethoxy-2-oxo-ethyl)-2-(3-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxy-2-oxoethyl)-2-[(3-nitrophenyl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-ethoxy-2-oxoethyl)-2-(3-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxy-2-keto-ethyl)-2-(3-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H17N3O7S MolecularWeight: 443.42988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O7S/c1-3-30-17(24)11-22-15-8-7-13(19(26)29-2)10-16(15)31-20(22)21-18(25)12-5-4-6-14(9-12)23(27)28/h4-10H,3,11H2,1-2H3