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

Systemtic Name: 4-[(5-methoxy-3-propan-2-ylsulfanyl-1-benzothiophen-2-yl)carbonylamino]benzoic acid Openeye Name: 4-[(3-isopropylsulfanyl-5-methoxy-benzothiophene-2-carbonyl)amino]benzoic acid CAS Name: 4-[[[5-methoxy-3-(propan-2-ylthio)-1-benzothiophen-2-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(5-methoxy-3-propan-2-ylsulfanyl-1-benzothiophene-2-carbonyl)amino]benzoic acid Traditional Name: 4-[[3-(isopropylthio)-5-methoxy-benzothiophene-2-carbonyl]amino]benzoic acid Formula: C20H19NO4S2 MolecularWeight: 401.49916

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO4S2/c1-11(2)26-17-15-10-14(25-3)8-9-16(15)27-18(17)19(22)21-13-6-4-12(5-7-13)20(23)24/h4-11H,1-3H3,(H,21,22)(H,23,24)