2-methoxy-5-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]methyl]benzoic acid Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C19H21NO4S/c1-11-3-6-16-13(7-11)9-17(25-16)18(21)20-10-12-4-5-15(24-2)14(8-12)19(22)23/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,20,21)(H,22,23)