methyl 4-[(5-methoxy-3-propan-2-ylsulfanyl-1-benzothiophen-2-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(5-methoxy-3-propan-2-ylsulfanyl-1-benzothiophen-2-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(3-isopropylsulfanyl-5-methoxy-benzothiophene-2-carbonyl)amino]benzoate CAS Name: 4-[[[5-methoxy-3-(propan-2-ylthio)-1-benzothiophen-2-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-methoxy-3-propan-2-ylsulfanyl-1-benzothiophene-2-carbonyl)amino]benzoate Traditional Name: 4-[[3-(isopropylthio)-5-methoxy-benzothiophene-2-carbonyl]amino]benzoic acid methyl ester Formula: C21H21NO4S2 MolecularWeight: 415.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(SC2=C1C=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)SC1=C(SC2=C1C=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H21NO4S2/c1-12(2)27-18-16-11-15(25-3)9-10-17(16)28-19(18)20(23)22-14-7-5-13(6-8-14)21(24)26-4/h5-12H,1-4H3,(H,22,23)