ethyl 5-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H15N3O3S3 MolecularWeight: 417.525

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC3=CC=CC=C3S2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC3=CC=CC=C3S2)C#N)C

InChI

InChI=1S/C18H15N3O3S3/c1-3-24-17(23)15-10(2)11(8-19)16(27-15)21-14(22)9-25-18-20-12-6-4-5-7-13(12)26-18/h4-7H,3,9H2,1-2H3,(H,21,22)