[2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 2-azanyl-4-nitro-benzoate

Systemtic Name: [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 2-azanyl-4-nitro-benzoate Openeye Name: [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-oxo-ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C19H18N4O5S/c1-11(18-21-15-5-3-4-6-16(15)29-18)22(2)17(24)10-28-19(25)13-8-7-12(23(26)27)9-14(13)20/h3-9,11H,10,20H2,1-2H3/t11-/m1/s1