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

Systemtic Name: ethyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(1,3-benzoxazol-2-ylthio)-1-oxopropyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(1,3-benzoxazol-2-ylthio)propanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H26N2O4S2 MolecularWeight: 506.63634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C(C)SC4=NC5=CC=CC=C5O4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C(C)SC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C27H26N2O4S2/c1-3-32-26(31)23-19-14-13-18(17-9-5-4-6-10-17)15-22(19)35-25(23)29-24(30)16(2)34-27-28-20-11-7-8-12-21(20)33-27/h4-12,16,18H,3,13-15H2,1-2H3,(H,29,30)