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

Systemtic Name: methyl 3-ethyl-2-(5-nitrothiophen-2-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-ethyl-2-(5-nitrothiophene-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[(5-nitro-2-thiophenyl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-ethyl-2-(5-nitrothiophene-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-(5-nitrothiophene-2-carbonyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C16H13N3O5S2 MolecularWeight: 391.42152

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5S2/c1-3-18-10-5-4-9(15(21)24-2)8-12(10)26-16(18)17-14(20)11-6-7-13(25-11)19(22)23/h4-8H,3H2,1-2H3