methyl 2-(4-nitrophenyl)carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(4-nitrophenyl)carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-allyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(4-nitrophenyl)-oxomethyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-nitrobenzoyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H15N3O5S MolecularWeight: 397.4045

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O5S/c1-3-10-21-15-9-6-13(18(24)27-2)11-16(15)28-19(21)20-17(23)12-4-7-14(8-5-12)22(25)26/h3-9,11H,1,10H2,2H3