methyl 3-[6-methyl-2-(3-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[6-methyl-2-(3-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-methyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-methyl-2-[(3-nitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-methyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-methyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])S2)CCC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])S2)CCC(=O)OC

InChI

InChI=1S/C19H17N3O5S/c1-12-6-7-15-16(10-12)28-19(21(15)9-8-17(23)27-2)20-18(24)13-4-3-5-14(11-13)22(25)26/h3-7,10-11H,8-9H2,1-2H3