4-(1-naphthalen-2-ylsulfonylbenzimidazol-2-yl)sulfanylbut-2-ynyl 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: 4-(1-naphthalen-2-ylsulfonylbenzimidazol-2-yl)sulfanylbut-2-ynyl 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: 4-[1-(2-naphthylsulfonyl)benzimidazol-2-yl]sulfanylbut-2-ynyl 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid 4-[[1-(2-naphthalenylsulfonyl)-2-benzimidazolyl]thio]but-2-ynyl ester IUPAC Name: 4-(1-naphthalen-2-ylsulfonylbenzimidazol-2-yl)sulfanylbut-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid 4-[[1-(2-naphthylsulfonyl)benzimidazol-2-yl]thio]but-2-ynyl ester Formula: C30H19ClN2O4S3 MolecularWeight: 603.13086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N3C4=CC=CC=C4N=C3SCC#CCOC(=O)C5=C(C6=CC=CC=C6S5)Cl

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N3C4=CC=CC=C4N=C3SCC#CCOC(=O)C5=C(C6=CC=CC=C6S5)Cl

InChI

InChI=1S/C30H19ClN2O4S3/c31-27-23-11-3-6-14-26(23)39-28(27)29(34)37-17-7-8-18-38-30-32-24-12-4-5-13-25(24)33(30)40(35,36)22-16-15-20-9-1-2-10-21(20)19-22/h1-6,9-16,19H,17-18H2