dimethyl-[(1S)-2-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonylamino]-1-thiophen-3-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[oxo-(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]-1-thiophen-3-ylethyl]azanium Traditional Name: [(1S)-2-[(3-keto-4H-1,4-benzothiazine-6-carbonyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C17H20N3O2S2+ MolecularWeight: 362.4896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2S2/c1-20(2)14(12-5-6-23-9-12)8-18-17(22)11-3-4-15-13(7-11)19-16(21)10-24-15/h3-7,9,14H,8,10H2,1-2H3,(H,18,22)(H,19,21)/p+1/t14-/m1/s1