methyl 2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-3-phenyl-propanoate Openeye Name: methyl 2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-3-phenyl-propanoate CAS Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-3-phenylpropanoate Traditional Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-3-phenyl-propionic acid methyl ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O4S/c1-24-16(21)14(9-11-5-3-2-4-6-11)19-17-18-13-8-7-12(20(22)23)10-15(13)25-17/h2-8,10,14H,9H2,1H3,(H,18,19)