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

Systemtic Name: methyl 6-chloranyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-thiochromene-7-carboxylate Openeye Name: methyl 4-(tert-butoxycarbonylamino)-6-chloro-thiochromane-7-carboxylate CAS Name: 6-chloro-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3,4-dihydro-2H-1-benzothiopyran-7-carboxylic acid methyl ester IUPAC Name: methyl 6-chloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-thiochromene-7-carboxylate Traditional Name: 4-(tert-butoxycarbonylamino)-6-chloro-thiochroman-7-carboxylic acid methyl ester Formula: C16H20ClNO4S MolecularWeight: 357.8523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClNO4S/c1-16(2,3)22-15(20)18-12-5-6-23-13-8-9(14(19)21-4)11(17)7-10(12)13/h7-8,12H,5-6H2,1-4H3,(H,18,20)