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

Systemtic Name: N-tert-butyl-2-[(3R)-3-[(3-methoxyphenyl)carbamoylamino]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanamide Openeye Name: N-tert-butyl-2-[(3R)-3-[(3-methoxyphenyl)carbamoylamino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide CAS Name: N-tert-butyl-2-[(3R)-3-[[(3-methoxyanilino)-oxomethyl]amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: N-tert-butyl-2-[(3R)-3-[(3-methoxyphenyl)carbamoylamino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide Traditional Name: N-tert-butyl-2-[(3R)-4-keto-3-[(3-methoxyphenyl)carbamoylamino]-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O4S/c1-23(2,3)26-20(28)13-27-18-10-5-6-11-19(18)32-14-17(21(27)29)25-22(30)24-15-8-7-9-16(12-15)31-4/h5-12,17H,13-14H2,1-4H3,(H,26,28)(H2,24,25,30)/t17-/m0/s1