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

Systemtic Name: butyl 2-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[(3,6-dichlorobenzothiophene-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3,6-dichlorobenzothiophene-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C21H16Cl2N2O3S2 MolecularWeight: 479.39934

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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=C(C=C4)Cl)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H16Cl2N2O3S2/c1-2-3-8-28-20(27)11-4-7-14-16(9-11)30-21(24-14)25-19(26)18-17(23)13-6-5-12(22)10-15(13)29-18/h4-7,9-10H,2-3,8H2,1H3,(H,24,25,26)