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

Systemtic Name: ethyl 2-[(Z)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(Z)-3-(5-nitro-2-thienyl)prop-2-enoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(Z)-3-(5-nitro-2-thiophenyl)-1-oxoprop-2-enyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(Z)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(Z)-3-(5-nitro-2-thienyl)acryloyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H15N3O5S2 MolecularWeight: 441.4802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C=CC3=CC=C(S3)[N+](=O)[O-])S2)CC#C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)/C=C\C3=CC=C(S3)[N+](=O)[O-])S2)CC#C

InChI

InChI=1S/C20H15N3O5S2/c1-3-11-22-15-8-5-13(19(25)28-4-2)12-16(15)30-20(22)21-17(24)9-6-14-7-10-18(29-14)23(26)27/h1,5-10,12H,4,11H2,2H3/b9-6-,21-20?