methyl 3-[2-(4-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(4-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-nitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S/c1-26-16(22)10-11-20-14-4-2-3-5-15(14)27-18(20)19-17(23)12-6-8-13(9-7-12)21(24)25/h2-9H,10-11H2,1H3