O4-ethyl O2-prop-2-enyl 5-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-prop-2-enyl 5-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-allyl O4-ethyl 5-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-ethyl ester O2-prop-2-enyl ester IUPAC Name: 4-O-ethyl 2-O-prop-2-enyl 5-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-allyl ester O4-ethyl ester Formula: C21H20N2O5S3 MolecularWeight: 476.5889

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC=C)NC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC=C)NC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H20N2O5S3/c1-4-10-28-20(26)17-12(3)16(19(25)27-5-2)18(31-17)23-15(24)11-29-21-22-13-8-6-7-9-14(13)30-21/h4,6-9H,1,5,10-11H2,2-3H3,(H,23,24)