methyl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[(E)-3-(3-nitrophenyl)acryloyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H13N3O5S MolecularWeight: 383.37792

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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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O5S/c1-26-17(23)12-6-7-14-15(10-12)27-18(19-14)20-16(22)8-5-11-3-2-4-13(9-11)21(24)25/h2-10H,1H3,(H,19,20,22)/b8-5+