tert-butyl 2-[(3R)-3-[(3-methoxyphenyl)carbamoylamino]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoate

Systemtic Name: tert-butyl 2-[(3R)-3-[(3-methoxyphenyl)carbamoylamino]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoate Openeye Name: tert-butyl 2-[(3R)-3-[(3-methoxyphenyl)carbamoylamino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate CAS Name: 2-[(3R)-3-[[(3-methoxyanilino)-oxomethyl]amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3R)-3-[(3-methoxyphenyl)carbamoylamino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate Traditional Name: 2-[(3R)-4-keto-3-[(3-methoxyphenyl)carbamoylamino]-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid tert-butyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=CC=CC=C2SCC(C1=O)NC(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=CC=CC=C2SC[C@@H](C1=O)NC(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C23H27N3O5S/c1-23(2,3)31-20(27)13-26-18-10-5-6-11-19(18)32-14-17(21(26)28)25-22(29)24-15-8-7-9-16(12-15)30-4/h5-12,17H,13-14H2,1-4H3,(H2,24,25,29)/t17-/m0/s1