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

Systemtic Name: methyl 3-ethyl-2-[(5-nitro-1-benzothiophen-2-yl)carbonylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-ethyl-2-(5-nitrobenzothiophene-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-ethyl-2-(5-nitro-1-benzothiophene-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-(5-nitrobenzothiophene-2-carbonyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H15N3O5S2 MolecularWeight: 441.4802

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O5S2/c1-3-22-14-6-4-11(19(25)28-2)9-16(14)30-20(22)21-18(24)17-10-12-8-13(23(26)27)5-7-15(12)29-17/h4-10H,3H2,1-2H3