ethyl 3-ethyl-2-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-ethyl-2-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-ethyl-2-[(E)-3-(5-nitro-2-thienyl)prop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[(E)-3-(5-nitro-2-thiophenyl)-1-oxoprop-2-enyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-2-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-[(E)-3-(5-nitro-2-thienyl)acryloyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C19H17N3O5S2 MolecularWeight: 431.48538

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C=CC3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)/C=C/C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O5S2/c1-3-21-14-8-5-12(18(24)27-4-2)11-15(14)29-19(21)20-16(23)9-6-13-7-10-17(28-13)22(25)26/h5-11H,3-4H2,1-2H3/b9-6+,20-19?