[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 2-[(4-methoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 2-[(4-methoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl] 2-[(4-methoxybenzoyl)amino]acetate CAS Name: 2-[[(4-methoxyphenyl)-oxomethyl]amino]acetic acid [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate Traditional Name: 2-(p-anisoylamino)acetic acid [2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl] ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)CNC(=O)C3=CC=C(C=C3)OC

InChI

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