ethyl 4-[2-[(2S)-2-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(2S)-2-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(2S)-2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(2S)-2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(2S)-2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(2S)-4-keto-2-methyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetyl]amino]benzoic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)CC(SC3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C[C@@H](SC3=CC=CC=C32)C

InChI

InChI=1S/C21H22N2O4S/c1-3-27-21(26)15-8-10-16(11-9-15)22-19(24)13-23-17-6-4-5-7-18(17)28-14(2)12-20(23)25/h4-11,14H,3,12-13H2,1-2H3,(H,22,24)/t14-/m0/s1