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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)NC3=C(C=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1CCC2=C(C1)SC=C2C(=O)NC3=C(C=C(C=C3)C(=O)O)C

InChI

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