3-methyl-4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonylamino)benzoic acid

Systemtic Name: 3-methyl-4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonylamino)benzoic acid Openeye Name: 3-methyl-4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)benzoic acid CAS Name: 3-methyl-4-[[oxo(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]amino]benzoic acid IUPAC Name: 3-methyl-4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)benzoic acid Traditional Name: 3-methyl-4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)benzoic acid Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC3=C(S2)CCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC3=C(S2)CCCCC3

InChI

InChI=1S/C18H19NO3S/c1-11-9-13(18(21)22)7-8-14(11)19-17(20)16-10-12-5-3-2-4-6-15(12)23-16/h7-10H,2-6H2,1H3,(H,19,20)(H,21,22)