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

Systemtic Name: 2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]thiophene-3-carboxylic acid Openeye Name: 2-[(6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]thiophene-3-carboxylic acid CAS Name: 2-[[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiophene-3-carboxylic acid Traditional Name: 2-[(6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]-3-thenoic acid Formula: C15H15NO3S2 MolecularWeight: 321.4145

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)NC3=C(C=CS3)C(=O)O

Isomeric SMILES

CC1CCC2=C(C1)SC=C2C(=O)NC3=C(C=CS3)C(=O)O

InChI

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