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

Systemtic Name: ethyl 5-azanyl-3-(4H-3,1-benzothiazin-2-ylsulfanylmethyl)-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-(4H-3,1-benzothiazin-2-ylsulfanylmethyl)-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[(4H-3,1-benzothiazin-2-ylthio)methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-(4H-3,1-benzothiazin-2-ylsulfanylmethyl)-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[(4H-3,1-benzothiazin-2-ylthio)methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C17H15N3O2S3 MolecularWeight: 389.5149

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=CC=CC=C3CS2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=CC=CC=C3CS2

InChI

InChI=1S/C17H15N3O2S3/c1-2-22-16(21)14-12(11(7-18)15(19)25-14)9-24-17-20-13-6-4-3-5-10(13)8-23-17/h3-6H,2,8-9,19H2,1H3