methyl 2-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(1,3-benzoxazol-2-ylthio)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(1,3-benzoxazol-2-ylthio)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCSC3=NC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H20N2O4S2/c1-25-19(24)17-12-6-2-5-9-15(12)28-18(17)22-16(23)10-11-27-20-21-13-7-3-4-8-14(13)26-20/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,22,23)