1,3-benzothiazol-2-ylmethyl-[(2S)-1-[(4-methoxycarbonylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-[(4-methoxycarbonylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-[(4-methoxycarbonylphenyl)methylamino]-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-[(4-methoxycarbonylphenyl)methylamino]-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-[(4-methoxycarbonylphenyl)methylamino]-1-oxopropan-2-yl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-[(4-carbomethoxybenzyl)amino]-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)C(=O)OC)[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23N3O3S/c1-14(24(2)13-19-23-17-6-4-5-7-18(17)28-19)20(25)22-12-15-8-10-16(11-9-15)21(26)27-3/h4-11,14H,12-13H2,1-3H3,(H,22,25)/p+1/t14-/m0/s1