prop-2-enyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: prop-2-enyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: allyl 3-(tert-butoxycarbonylamino)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Traditional Name: 3-(tert-butoxycarbonylamino)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid allyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5S/c1-5-8-24-16(22)11-6-7-14-12(9-11)19-15(21)13(10-26-14)20-17(23)25-18(2,3)4/h5-7,9,13H,1,8,10H2,2-4H3,(H,19,21)(H,20,23)