4-(1,3-benzoxazol-2-ylsulfanyl)but-2-ynyl 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: 4-(1,3-benzoxazol-2-ylsulfanyl)but-2-ynyl 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: 4-(1,3-benzoxazol-2-ylsulfanyl)but-2-ynyl 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid 4-(1,3-benzoxazol-2-ylthio)but-2-ynyl ester IUPAC Name: 4-(1,3-benzoxazol-2-ylsulfanyl)but-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid 4-(1,3-benzoxazol-2-ylthio)but-2-ynyl ester Formula: C20H12ClNO3S2 MolecularWeight: 413.89718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC#CCSC3=NC4=CC=CC=C4O3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC#CCSC3=NC4=CC=CC=C4O3)Cl

InChI

InChI=1S/C20H12ClNO3S2/c21-17-13-7-1-4-10-16(13)27-18(17)19(23)24-11-5-6-12-26-20-22-14-8-2-3-9-15(14)25-20/h1-4,7-10H,11-12H2