ethyl 2-(5-chloranyl-2-nitro-phenyl)carbonylimino-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(5-chloranyl-2-nitro-phenyl)carbonylimino-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(5-chloro-2-nitro-benzoyl)imino-3-(2-methoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(5-chloro-2-nitrophenyl)-oxomethyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(5-chloro-2-nitrobenzoyl)imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(5-chloro-2-nitro-benzoyl)imino-3-(2-keto-2-methoxy-ethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H16ClN3O7S MolecularWeight: 477.87494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3O7S/c1-3-31-19(27)11-4-6-15-16(8-11)32-20(23(15)10-17(25)30-2)22-18(26)13-9-12(21)5-7-14(13)24(28)29/h4-9H,3,10H2,1-2H3