methyl 2-[(6-tert-butyl-3-chloranyl-1-benzothiophen-2-yl)carbonylamino]benzoate

Systemtic Name: methyl 2-[(6-tert-butyl-3-chloranyl-1-benzothiophen-2-yl)carbonylamino]benzoate Openeye Name: methyl 2-[(6-tert-butyl-3-chloro-benzothiophene-2-carbonyl)amino]benzoate CAS Name: 2-[[(6-tert-butyl-3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(6-tert-butyl-3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate Traditional Name: 2-[(6-tert-butyl-3-chloro-benzothiophene-2-carbonyl)amino]benzoic acid methyl ester Formula: C21H20ClNO3S MolecularWeight: 401.9064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=CC=CC=C3C(=O)OC)Cl

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=CC=CC=C3C(=O)OC)Cl

InChI

InChI=1S/C21H20ClNO3S/c1-21(2,3)12-9-10-14-16(11-12)27-18(17(14)22)19(24)23-15-8-6-5-7-13(15)20(25)26-4/h5-11H,1-4H3,(H,23,24)