4-azanyl-8-methyl-3,4-dihydro-2H-thiochromene-7-carboxylic acid

Systemtic Name: 4-azanyl-8-methyl-3,4-dihydro-2H-thiochromene-7-carboxylic acid Openeye Name: 4-amino-8-methyl-thiochromane-7-carboxylic acid CAS Name: 4-amino-8-methyl-3,4-dihydro-2H-1-benzothiopyran-7-carboxylic acid IUPAC Name: 4-amino-8-methyl-3,4-dihydro-2H-thiochromene-7-carboxylic acid Traditional Name: 4-amino-8-methyl-thiochroman-7-carboxylic acid Formula: C11H13NO2S MolecularWeight: 223.29142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1SCCC2N)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1SCCC2N)C(=O)O

InChI

InChI=1S/C11H13NO2S/c1-6-7(11(13)14)2-3-8-9(12)4-5-15-10(6)8/h2-3,9H,4-5,12H2,1H3,(H,13,14)