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

Systemtic Name: methyl 3-(2-methylsulfanylethyl)-2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methylsulfanylethyl)-2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylsulfanylethyl)-2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-[2-(methylthio)ethyl]-2-[(E)-3-(4-nitrophenyl)acryloyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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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)CCSC

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O5S2/c1-29-20(26)15-6-9-17-18(13-15)31-21(23(17)11-12-30-2)22-19(25)10-5-14-3-7-16(8-4-14)24(27)28/h3-10,13H,11-12H2,1-2H3/b10-5+,22-21?