methyl 2-[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[(E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(E)-3-(4-chloro-3-nitrophenyl)-1-oxoprop-2-enyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[(E)-3-(4-chloro-3-nitro-phenyl)acryloyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H12ClN3O5S MolecularWeight: 417.82298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN3O5S/c1-27-17(24)11-4-6-13-15(9-11)28-18(20-13)21-16(23)7-3-10-2-5-12(19)14(8-10)22(25)26/h2-9H,1H3,(H,20,21,23)/b7-3+