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

Systemtic Name: 3-methyl-4-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]benzoic acid CAS Name: 3-methyl-4-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]benzoic acid Traditional Name: 3-methyl-4-[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]benzoic acid Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C

InChI

InChI=1S/C18H19NO3S/c1-10-3-6-15-13(7-10)9-16(23-15)17(20)19-14-5-4-12(18(21)22)8-11(14)2/h4-5,8-10H,3,6-7H2,1-2H3,(H,19,20)(H,21,22)