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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4S/c1-16(2,3)21-15(19)17-12-7-8-22-13-9-10(14(18)20-4)5-6-11(12)13/h5-6,9,12H,7-8H2,1-4H3,(H,17,19)