4-[(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)carbamoyl]benzoic acid

Systemtic Name: 4-[(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)carbamoyl]benzoic acid Openeye Name: 4-[(2,2,4,4-tetramethylthiochroman-6-yl)carbamoyl]benzoic acid CAS Name: 4-[oxo-[(2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)amino]methyl]benzoic acid IUPAC Name: 4-[(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)carbamoyl]benzoic acid Traditional Name: 4-[(2,2,4,4-tetramethylthiochroman-6-yl)carbamoyl]benzoic acid Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(SC2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)O)(C)C)C

Isomeric SMILES

CC1(CC(SC2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)O)(C)C)C

InChI

InChI=1S/C21H23NO3S/c1-20(2)12-21(3,4)26-17-10-9-15(11-16(17)20)22-18(23)13-5-7-14(8-6-13)19(24)25/h5-11H,12H2,1-4H3,(H,22,23)(H,24,25)