tert-butyl 2-[4-oxidanylidene-2-[(phenylmethyl)amino]-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-oxidanylidene-2-[(phenylmethyl)amino]-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoate Openeye Name: tert-butyl 2-[2-(benzylamino)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate CAS Name: 2-[4-oxo-2-[(phenylmethyl)amino]-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(benzylamino)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate Traditional Name: 2-[2-(benzylamino)-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid tert-butyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(=O)CC(SC2=CC=CC=C21)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(=O)CC(SC2=CC=CC=C21)NCC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3S/c1-22(2,3)27-21(26)15-24-17-11-7-8-12-18(17)28-19(13-20(24)25)23-14-16-9-5-4-6-10-16/h4-12,19,23H,13-15H2,1-3H3