4-[1-azanyl-2-(5-methoxy-3-propan-2-yloxy-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 4-[1-azanyl-2-(5-methoxy-3-propan-2-yloxy-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 4-[1-amino-2-(3-isopropoxy-5-methoxy-benzothiophen-2-yl)-2-oxo-ethyl]benzoic acid CAS Name: 4-[1-amino-2-(5-methoxy-3-propan-2-yloxy-1-benzothiophen-2-yl)-2-oxoethyl]benzoic acid IUPAC Name: 4-[1-amino-2-(5-methoxy-3-propan-2-yloxy-1-benzothiophen-2-yl)-2-oxoethyl]benzoic acid Traditional Name: 4-[1-amino-2-(3-isopropoxy-5-methoxy-benzothiophen-2-yl)-2-keto-ethyl]benzoic acid Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(SC2=C1C=C(C=C2)OC)C(=O)C(C3=CC=C(C=C3)C(=O)O)N

Isomeric SMILES

CC(C)OC1=C(SC2=C1C=C(C=C2)OC)C(=O)C(C3=CC=C(C=C3)C(=O)O)N

InChI

InChI=1S/C21H21NO5S/c1-11(2)27-19-15-10-14(26-3)8-9-16(15)28-20(19)18(23)17(22)12-4-6-13(7-5-12)21(24)25/h4-11,17H,22H2,1-3H3,(H,24,25)