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

Systemtic Name: 6-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-thiochromene-7-carboxylic acid Openeye Name: 4-(tert-butoxycarbonylamino)-6-methoxy-thiochromane-7-carboxylic acid CAS Name: 6-methoxy-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3,4-dihydro-2H-1-benzothiopyran-7-carboxylic acid IUPAC Name: 6-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-thiochromene-7-carboxylic acid Traditional Name: 4-(tert-butoxycarbonylamino)-6-methoxy-thiochroman-7-carboxylic acid Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5S/c1-16(2,3)22-15(20)17-11-5-6-23-13-8-10(14(18)19)12(21-4)7-9(11)13/h7-8,11H,5-6H2,1-4H3,(H,17,20)(H,18,19)