4-[(7-methanoyl-4,4-dimethyl-3H-thiochromen-2-ylidene)amino]benzoic acid

Systemtic Name: 4-[(7-methanoyl-4,4-dimethyl-3H-thiochromen-2-ylidene)amino]benzoic acid Openeye Name: 4-[(7-formyl-4,4-dimethyl-thiochroman-2-ylidene)amino]benzoic acid CAS Name: 4-[(7-formyl-4,4-dimethyl-3H-1-benzothiopyran-2-ylidene)amino]benzoic acid IUPAC Name: 4-[(7-formyl-4,4-dimethyl-3H-thiochromen-2-ylidene)amino]benzoic acid Traditional Name: 4-[(7-formyl-4,4-dimethyl-thiochroman-2-ylidene)amino]benzoic acid Formula: C19H17NO3S MolecularWeight: 339.40818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NC2=CC=C(C=C2)C(=O)O)SC3=C1C=CC(=C3)C=O)C

Isomeric SMILES

CC1(CC(=NC2=CC=C(C=C2)C(=O)O)SC3=C1C=CC(=C3)C=O)C

InChI

InChI=1S/C19H17NO3S/c1-19(2)10-17(20-14-6-4-13(5-7-14)18(22)23)24-16-9-12(11-21)3-8-15(16)19/h3-9,11H,10H2,1-2H3,(H,22,23)