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

Systemtic Name: 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-thiochromene-7-carboxylic acid Openeye Name: 4-(tert-butoxycarbonylamino)thiochromane-7-carboxylic acid CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3,4-dihydro-2H-1-benzothiopyran-7-carboxylic acid IUPAC Name: 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-thiochromene-7-carboxylic acid Traditional Name: 4-(tert-butoxycarbonylamino)thiochroman-7-carboxylic acid Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCSC2=C1C=CC(=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCSC2=C1C=CC(=C2)C(=O)O

InChI

InChI=1S/C15H19NO4S/c1-15(2,3)20-14(19)16-11-6-7-21-12-8-9(13(17)18)4-5-10(11)12/h4-5,8,11H,6-7H2,1-3H3,(H,16,19)(H,17,18)