ethyl 5-azanyl-3-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C16H12ClN3O2S3 MolecularWeight: 409.93338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C16H12ClN3O2S3/c1-2-22-15(21)13-10(9(6-18)14(19)25-13)7-23-16-20-11-5-8(17)3-4-12(11)24-16/h3-5H,2,7,19H2,1H3