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

Systemtic Name: 5-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]thiophene-2-carboxylic acid Openeye Name: 5-[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]thiophene-2-carboxylic acid CAS Name: 5-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]thiophene-2-carboxylic acid Traditional Name: 5-[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]-2-thenoic acid Formula: C15H15NO3S2 MolecularWeight: 321.4145

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NC3=CC=C(S3)C(=O)O

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NC3=CC=C(S3)C(=O)O

InChI

InChI=1S/C15H15NO3S2/c1-8-2-3-10-9(6-8)7-12(20-10)14(17)16-13-5-4-11(21-13)15(18)19/h4-5,7-8H,2-3,6H2,1H3,(H,16,17)(H,18,19)