N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]propionamide Formula: C21H21N3O2S3 MolecularWeight: 443.60534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C21H21N3O2S3/c1-2-26-13-7-8-16-18(11-13)29-21(23-16)27-10-9-19(25)24-20-15(12-22)14-5-3-4-6-17(14)28-20/h7-8,11H,2-6,9-10H2,1H3,(H,24,25)