[7-tert-butyl-2-methyl-2-(phenylcarbamothioyl)-3,4-dihydrochromen-6-yl] ethanoate

Systemtic Name: [7-tert-butyl-2-methyl-2-(phenylcarbamothioyl)-3,4-dihydrochromen-6-yl] ethanoate Openeye Name: [7-tert-butyl-2-methyl-2-(phenylcarbamothioyl)chroman-6-yl] acetate CAS Name: acetic acid [2-[anilino(sulfanylidene)methyl]-7-tert-butyl-2-methyl-3,4-dihydro-2H-1-benzopyran-6-yl] ester IUPAC Name: [7-tert-butyl-2-methyl-2-(phenylcarbamothioyl)-3,4-dihydrochromen-6-yl] acetate Traditional Name: acetic acid [7-tert-butyl-2-methyl-2-(phenylthiocarbamoyl)chroman-6-yl] ester Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C2C(=C1)CCC(O2)(C)C(=S)NC3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC(=O)OC1=C(C=C2C(=C1)CCC(O2)(C)C(=S)NC3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C23H27NO3S/c1-15(25)26-20-13-16-11-12-23(5,21(28)24-17-9-7-6-8-10-17)27-19(16)14-18(20)22(2,3)4/h6-10,13-14H,11-12H2,1-5H3,(H,24,28)