methyl 2-[[6-[2-(4-nitrophenyl)ethanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[6-[2-(4-nitrophenyl)ethanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-[[2-(4-nitrophenyl)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[2-(4-nitrophenyl)-1-oxoethyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-[[2-(4-nitrophenyl)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-[[2-(4-nitrophenyl)acetyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester Formula: C18H15N3O5S2 MolecularWeight: 417.4588

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S2/c1-26-17(23)10-27-18-20-14-7-4-12(9-15(14)28-18)19-16(22)8-11-2-5-13(6-3-11)21(24)25/h2-7,9H,8,10H2,1H3,(H,19,22)