dimethyl-[(1S)-2-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonylamino]-1-thiophen-3-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[oxo-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)methyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]-1-thiophen-3-ylethyl]azanium Traditional Name: [(1S)-2-[(4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C18H22N3O2S2+ MolecularWeight: 376.51618

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC2=C(C=C1)SCCC(=O)N2)C3=CSC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC2=C(C=C1)SCCC(=O)N2)C3=CSC=C3

InChI

InChI=1S/C18H21N3O2S2/c1-21(2)15(13-5-7-24-11-13)10-19-18(23)12-3-4-16-14(9-12)20-17(22)6-8-25-16/h3-5,7,9,11,15H,6,8,10H2,1-2H3,(H,19,23)(H,20,22)/p+1/t15-/m1/s1