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

Systemtic Name: 6-chloranyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-thiochromene-7-carboxylic acid Openeye Name: 4-(tert-butoxycarbonylamino)-6-chloro-thiochromane-7-carboxylic acid CAS Name: 6-chloro-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3,4-dihydro-2H-1-benzothiopyran-7-carboxylic acid IUPAC Name: 6-chloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-thiochromene-7-carboxylic acid Traditional Name: 4-(tert-butoxycarbonylamino)-6-chloro-thiochroman-7-carboxylic acid Formula: C15H18ClNO4S MolecularWeight: 343.82572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClNO4S/c1-15(2,3)21-14(20)17-11-4-5-22-12-7-8(13(18)19)10(16)6-9(11)12/h6-7,11H,4-5H2,1-3H3,(H,17,20)(H,18,19)