4-(3,4-dihydro-2H-thiochromen-6-ylcarbonylamino)benzoic acid

Systemtic Name: 4-(3,4-dihydro-2H-thiochromen-6-ylcarbonylamino)benzoic acid Openeye Name: 4-(thiochromane-6-carbonylamino)benzoic acid CAS Name: 4-[[3,4-dihydro-2H-1-benzothiopyran-6-yl(oxo)methyl]amino]benzoic acid IUPAC Name: 4-(3,4-dihydro-2H-thiochromene-6-carbonylamino)benzoic acid Traditional Name: 4-(thiochroman-6-carbonylamino)benzoic acid Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)SC1

Isomeric SMILES

C1CC2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)SC1

InChI

InChI=1S/C17H15NO3S/c19-16(18-14-6-3-11(4-7-14)17(20)21)13-5-8-15-12(10-13)2-1-9-22-15/h3-8,10H,1-2,9H2,(H,18,19)(H,20,21)