4-(dimethylamino)-2-methanethioyloxy-3-(2-methylprop-2-enyl)benzoic acid

Systemtic Name: 4-(dimethylamino)-2-methanethioyloxy-3-(2-methylprop-2-enyl)benzoic acid Openeye Name: 4-(dimethylamino)-2-methanethioyloxy-3-(2-methylallyl)benzoic acid CAS Name: 4-(dimethylamino)-2-methanethioyloxy-3-(2-methylprop-2-enyl)benzoic acid IUPAC Name: 4-(dimethylamino)-2-methanethioyloxy-3-(2-methylprop-2-enyl)benzoic acid Traditional Name: 4-(dimethylamino)-3-(2-methylallyl)-2-thioformyloxy-benzoic acid Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC1=C(C=CC(=C1OC=S)C(=O)O)N(C)C

Isomeric SMILES

CC(=C)CC1=C(C=CC(=C1OC=S)C(=O)O)N(C)C

InChI

InChI=1S/C14H17NO3S/c1-9(2)7-11-12(15(3)4)6-5-10(14(16)17)13(11)18-8-19/h5-6,8H,1,7H2,2-4H3,(H,16,17)