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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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