methyl 2-[(Z)-3-(4-nitrophenyl)prop-2-enoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[(Z)-3-(4-nitrophenyl)prop-2-enoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(Z)-3-(4-nitrophenyl)prop-2-enoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(Z)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(Z)-3-(4-nitrophenyl)prop-2-enoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(Z)-3-(4-nitrophenyl)acryloyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H15N3O5S MolecularWeight: 421.4259

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O5S/c1-3-12-23-17-10-7-15(20(26)29-2)13-18(17)30-21(23)22-19(25)11-6-14-4-8-16(9-5-14)24(27)28/h1,4-11,13H,12H2,2H3/b11-6-,22-21?