benzoic acid; N-(4,4-dimethyl-2,3-dihydrothiochromen-7-yl)methanamide

Systemtic Name: benzoic acid; N-(4,4-dimethyl-2,3-dihydrothiochromen-7-yl)methanamide Openeye Name: benzoic acid; N-(4,4-dimethylthiochroman-7-yl)formamide CAS Name: benzoic acid; N-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-7-yl)formamide IUPAC Name: benzoic acid; N-(4,4-dimethyl-2,3-dihydrothiochromen-7-yl)formamide Traditional Name: benzoic acid; N-(4,4-dimethylthiochroman-7-yl)formamide Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=CC(=C2)NC=O)C.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC1(CCSC2=C1C=CC(=C2)NC=O)C.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C12H15NOS.C7H6O2/c1-12(2)5-6-15-11-7-9(13-8-14)3-4-10(11)12;8-7(9)6-4-2-1-3-5-6/h3-4,7-8H,5-6H2,1-2H3,(H,13,14);1-5H,(H,8,9)