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

Systemtic Name: methyl 3-methyl-4-[[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: methyl 3-methyl-4-[[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-ethyl]amino]benzoate CAS Name: 3-methyl-4-[[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-methyl-4-[[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]amino]benzoate Traditional Name: 4-[[2-keto-2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethyl]amino]-3-methyl-benzoic acid methyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CNC3=C(C=C(C=C3)C(=O)OC)C

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)CNC3=C(C=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C21H24N2O3S/c1-14-12-16(21(25)26-3)8-9-17(14)22-13-20(24)23-11-10-15(2)27-19-7-5-4-6-18(19)23/h4-9,12,15,22H,10-11,13H2,1-3H3/t15-/m0/s1