6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-thiochromene-7-carboxylic acid

Systemtic Name: 6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-thiochromene-7-carboxylic acid Openeye Name: 4-(tert-butoxycarbonylamino)-6-methyl-thiochromane-7-carboxylic acid CAS Name: 6-methyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3,4-dihydro-2H-1-benzothiopyran-7-carboxylic acid IUPAC Name: 6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-thiochromene-7-carboxylic acid Traditional Name: 4-(tert-butoxycarbonylamino)-6-methyl-thiochroman-7-carboxylic acid Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(=O)O)SCCC2NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C(=O)O)SCCC2NC(=O)OC(C)(C)C

InChI

InChI=1S/C16H21NO4S/c1-9-7-11-12(17-15(20)21-16(2,3)4)5-6-22-13(11)8-10(9)14(18)19/h7-8,12H,5-6H2,1-4H3,(H,17,20)(H,18,19)