ethyl 2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(E)-3-(3-nitrophenyl)acryloyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H17N3O5S MolecularWeight: 435.45248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O5S/c1-3-12-24-18-10-9-16(21(27)30-4-2)14-19(18)31-22(24)23-20(26)11-8-15-6-5-7-17(13-15)25(28)29/h1,5-11,13-14H,4,12H2,2H3/b11-8+,23-22?