(4-methoxycarbonyl-2-methyl-phenyl)-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (4-methoxycarbonyl-2-methyl-phenyl)-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-methoxycarbonyl-2-methyl-phenyl)-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-ethyl]ammonium CAS Name: (4-methoxycarbonyl-2-methylphenyl)-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]ammonium IUPAC Name: (4-methoxycarbonyl-2-methylphenyl)-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]azanium Traditional Name: (4-carbomethoxy-2-methyl-phenyl)-[2-keto-2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethyl]ammonium Formula: C21H25N2O3S+ MolecularWeight: 385.4998

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C[NH2+]C3=C(C=C(C=C3)C(=O)OC)C

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)C[NH2+]C3=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/p+1/t15-/m0/s1