4-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[(5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]-3-methyl-benzoic acid CAS Name: 4-[[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]-3-methylbenzoic acid Traditional Name: 4-[(5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]-3-methyl-benzoic acid Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C

Isomeric SMILES

CCC1CCC2=C(C1)C=C(S2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C

InChI

InChI=1S/C19H21NO3S/c1-3-12-4-7-16-14(9-12)10-17(24-16)18(21)20-15-6-5-13(19(22)23)8-11(15)2/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,20,21)(H,22,23)