1,3-benzothiazol-2-ylmethyl-[(2S)-1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(2-ethoxyanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-keto-1-methyl-2-(o-phenetidino)ethyl]-methyl-ammonium Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C)[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C)[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H23N3O2S/c1-4-25-17-11-7-5-9-15(17)22-20(24)14(2)23(3)13-19-21-16-10-6-8-12-18(16)26-19/h5-12,14H,4,13H2,1-3H3,(H,22,24)/p+1/t14-/m0/s1