methyl 3-(2-methoxyethyl)-2-[(5-nitro-1-benzothiophen-2-yl)carbonylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-methoxyethyl)-2-[(5-nitro-1-benzothiophen-2-yl)carbonylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methoxyethyl)-2-(5-nitrobenzothiophene-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxyethyl)-2-[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methoxyethyl)-2-(5-nitro-1-benzothiophene-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-methoxyethyl)-2-(5-nitrobenzothiophene-2-carbonyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H17N3O6S2 MolecularWeight: 471.50618

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O6S2/c1-29-8-7-23-15-5-3-12(20(26)30-2)10-17(15)32-21(23)22-19(25)18-11-13-9-14(24(27)28)4-6-16(13)31-18/h3-6,9-11H,7-8H2,1-2H3