2-[(6-acetyloxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)carbothioylamino]-3,5-dimethyl-benzoic acid

Systemtic Name: 2-[(6-acetyloxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)carbothioylamino]-3,5-dimethyl-benzoic acid Openeye Name: 2-[(6-acetoxy-2,5,7,8-tetramethyl-chromane-2-carbothioyl)amino]-3,5-dimethyl-benzoic acid CAS Name: 2-[[(6-acetyloxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)-sulfanylidenemethyl]amino]-3,5-dimethylbenzoic acid IUPAC Name: 2-[(6-acetyloxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbothioyl)amino]-3,5-dimethylbenzoic acid Traditional Name: 2-[(6-acetoxy-2,5,7,8-tetramethyl-chroman-2-carbothioyl)amino]-3,5-dimethyl-benzoic acid Formula: C25H29NO5S MolecularWeight: 455.56646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)NC(=S)C2(CCC3=C(C(=C(C(=C3O2)C)C)OC(=O)C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)NC(=S)C2(CCC3=C(C(=C(C(=C3O2)C)C)OC(=O)C)C)C)C

InChI

InChI=1S/C25H29NO5S/c1-12-10-13(2)20(19(11-12)23(28)29)26-24(32)25(7)9-8-18-16(5)21(30-17(6)27)14(3)15(4)22(18)31-25/h10-11H,8-9H2,1-7H3,(H,26,32)(H,28,29)