butyl 2-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(3-chloro-7-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(3-chloro-7-nitro-1-benzothiophene-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C21H16ClN3O5S2 MolecularWeight: 489.95184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H16ClN3O5S2/c1-2-3-9-30-20(27)11-7-8-13-15(10-11)31-21(23-13)24-19(26)18-16(22)12-5-4-6-14(25(28)29)17(12)32-18/h4-8,10H,2-3,9H2,1H3,(H,23,24,26)