methyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-(5-nitrothiophen-2-yl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-(5-nitrothiophen-2-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methoxy-2-oxo-ethyl)-2-(5-nitrothiophene-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxy-2-oxoethyl)-2-[(5-nitro-2-thiophenyl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methoxy-2-oxoethyl)-2-(5-nitrothiophene-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-keto-2-methoxy-ethyl)-2-(5-nitrothiophene-2-carbonyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C17H13N3O7S2 MolecularWeight: 435.43102

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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=C(S3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O7S2/c1-26-14(21)8-19-10-4-3-9(16(23)27-2)7-12(10)29-17(19)18-15(22)11-5-6-13(28-11)20(24)25/h3-7H,8H2,1-2H3