3-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide

Systemtic Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Openeye Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)propanamide CAS Name: 3-(1,3-benzoxazol-2-ylthio)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide IUPAC Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Traditional Name: 3-(1,3-benzoxazol-2-ylthio)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)propionamide Formula: C20H19N3O2S2 MolecularWeight: 397.51376

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H19N3O2S2/c1-12-6-7-13-14(11-21)19(27-17(13)10-12)23-18(24)8-9-26-20-22-15-4-2-3-5-16(15)25-20/h2-5,12H,6-10H2,1H3,(H,23,24)