ethyl 5-azanyl-3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C16H13N3O2S3 MolecularWeight: 375.48832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O2S3/c1-2-21-15(20)13-10(9(7-17)14(18)24-13)8-22-16-19-11-5-3-4-6-12(11)23-16/h3-6H,2,8,18H2,1H3