[5-(1-azanyl-2-methyl-propan-2-yl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate

Systemtic Name: [5-(1-azanyl-2-methyl-propan-2-yl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [5-(2-amino-1,1-dimethyl-ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [5-(1-amino-2-methylpropan-2-yl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [5-(1-amino-2-methylpropan-2-yl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [5-(2-amino-1,1-dimethyl-ethyl)-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)C(C)(C)CN)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)C(C)(C)CN)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N2O4S/c1-14(25)28-19-20(15-9-11-16(27-4)12-10-15)29-18-8-6-5-7-17(18)24(21(19)26)22(2,3)13-23/h5-12,19-20H,13,23H2,1-4H3