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

Systemtic Name: 2-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]terephthalic acid Openeye Name: 2-[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]terephthalic acid CAS Name: 2-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]terephthalic acid Traditional Name: 2-[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]terephthalic acid Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO5S/c1-9-2-5-14-11(6-9)8-15(25-14)16(20)19-13-7-10(17(21)22)3-4-12(13)18(23)24/h3-4,7-9H,2,5-6H2,1H3,(H,19,20)(H,21,22)(H,23,24)