3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid Openeye Name: 3-(tert-butoxycarbonylamino)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid Traditional Name: 3-(tert-butoxycarbonylamino)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CSC2=C(C=C(C=C2)C(=O)O)NC1=O

Isomeric SMILES

CC(C)(C)OC(=O)NC1CSC2=C(C=C(C=C2)C(=O)O)NC1=O

InChI

InChI=1S/C15H18N2O5S/c1-15(2,3)22-14(21)17-10-7-23-11-5-4-8(13(19)20)6-9(11)16-12(10)18/h4-6,10H,7H2,1-3H3,(H,16,18)(H,17,21)(H,19,20)