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

Systemtic Name: methyl 3-(2-methylsulfanylethyl)-2-[(5-nitro-1-benzothiophen-2-yl)carbonylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methylsulfanylethyl)-2-(5-nitrobenzothiophene-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylsulfanylethyl)-2-(5-nitro-1-benzothiophene-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-[2-(methylthio)ethyl]-2-(5-nitrobenzothiophene-2-carbonyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H17N3O5S3 MolecularWeight: 487.57178

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])S2)CCSC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])S2)CCSC

InChI

InChI=1S/C21H17N3O5S3/c1-29-20(26)12-3-5-15-17(10-12)32-21(23(15)7-8-30-2)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