methyl 2-[(4-propan-2-ylsulfanylphenyl)carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-propan-2-ylsulfanylphenyl)carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(4-isopropylsulfanylbenzoyl)amino]benzothiophene-3-carboxylate CAS Name: 2-[[oxo-[4-(propan-2-ylthio)phenyl]methyl]amino]-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-propan-2-ylsulfanylbenzoyl)amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-(isopropylthio)benzoyl]amino]benzothiophene-3-carboxylic acid methyl ester Formula: C20H19NO3S2 MolecularWeight: 385.49976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)C(=O)NC2=C(C3=CC=CC=C3S2)C(=O)OC

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)C(=O)NC2=C(C3=CC=CC=C3S2)C(=O)OC

InChI

InChI=1S/C20H19NO3S2/c1-12(2)25-14-10-8-13(9-11-14)18(22)21-19-17(20(23)24-3)15-6-4-5-7-16(15)26-19/h4-12H,1-3H3,(H,21,22)