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

Systemtic Name: ethyl 2-[(5-nitro-1-benzothiophen-2-yl)carbonylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(5-nitrobenzothiophene-2-carbonyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(5-nitro-1-benzothiophene-2-carbonyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(5-nitrobenzothiophene-2-carbonyl)imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H15N3O5S2 MolecularWeight: 465.5016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15N3O5S2/c1-3-9-24-16-7-5-13(21(27)30-4-2)11-18(16)32-22(24)23-20(26)19-12-14-10-15(25(28)29)6-8-17(14)31-19/h1,5-8,10-12H,4,9H2,2H3