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

Systemtic Name: 4-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-3-nitro-benzaldehyde Openeye Name: 4-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-3-nitro-benzaldehyde CAS Name: 4-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-3-nitrobenzaldehyde IUPAC Name: 4-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-3-nitrobenzaldehyde Traditional Name: 4-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-3-nitro-benzaldehyde Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3S/c1-11(17-18-13-5-3-4-6-16(13)24-17)19(2)14-8-7-12(10-21)9-15(14)20(22)23/h3-11H,1-2H3/t11-/m1/s1