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

Systemtic Name: butyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[(3-chlorobenzothiophene-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C21H17ClN2O3S2 MolecularWeight: 444.95428

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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=CC=CC=C4S3)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H17ClN2O3S2/c1-2-3-10-27-20(26)12-8-9-14-16(11-12)29-21(23-14)24-19(25)18-17(22)13-6-4-5-7-15(13)28-18/h4-9,11H,2-3,10H2,1H3,(H,23,24,25)