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

Systemtic Name: [(2-ethoxy-2-oxidanylidene-ethyl)-(phenylmethyl)amino] 2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoate Openeye Name: [benzyl-(2-ethoxy-2-oxo-ethyl)amino] 2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetate CAS Name: 2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetic acid [(2-ethoxy-2-oxoethyl)-(phenylmethyl)amino] ester IUPAC Name: [benzyl-(2-ethoxy-2-oxoethyl)amino] 2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetate Traditional Name: 2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetic acid [benzyl-(2-ethoxy-2-keto-ethyl)amino] ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC1=CC=CC=C1)OC(=O)CN2C(=O)CCSC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)CN(CC1=CC=CC=C1)OC(=O)CN2C(=O)CCSC3=CC=CC=C32

InChI

InChI=1S/C22H24N2O5S/c1-2-28-21(26)15-23(14-17-8-4-3-5-9-17)29-22(27)16-24-18-10-6-7-11-19(18)30-13-12-20(24)25/h3-11H,2,12-16H2,1H3