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

Systemtic Name: ethyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-(5-nitrothiophen-2-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H15N3O7S2 MolecularWeight: 449.4576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(S3)[N+](=O)[O-])S2)CC(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(S3)[N+](=O)[O-])S2)CC(=O)OC

InChI

InChI=1S/C18H15N3O7S2/c1-3-28-17(24)10-4-5-11-13(8-10)30-18(20(11)9-15(22)27-2)19-16(23)12-6-7-14(29-12)21(25)26/h4-8H,3,9H2,1-2H3