3-(2-chloranyl-5-hexadecylsulfonyl-phenyl)-2-oxidanylidene-4-sulfanyl-1,3-thiazole-5-carbaldehyde

Systemtic Name: 3-(2-chloranyl-5-hexadecylsulfonyl-phenyl)-2-oxidanylidene-4-sulfanyl-1,3-thiazole-5-carbaldehyde Openeye Name: 3-(2-chloro-5-hexadecylsulfonyl-phenyl)-2-oxo-4-sulfanyl-thiazole-5-carbaldehyde CAS Name: 3-(2-chloro-5-hexadecylsulfonylphenyl)-4-mercapto-2-oxo-5-thiazolecarboxaldehyde IUPAC Name: 3-(2-chloro-5-hexadecylsulfonylphenyl)-2-oxo-4-sulfanyl-1,3-thiazole-5-carbaldehyde Traditional Name: 3-(5-cetylsulfonyl-2-chloro-phenyl)-2-keto-4-mercapto-4-thiazoline-5-carbaldehyde Formula: C26H38ClNO4S3 MolecularWeight: 560.23222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)C1=CC(=C(C=C1)Cl)N2C(=C(SC2=O)C=O)S

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)C1=CC(=C(C=C1)Cl)N2C(=C(SC2=O)C=O)S

InChI

InChI=1S/C26H38ClNO4S3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-35(31,32)21-16-17-22(27)23(19-21)28-25(33)24(20-29)34-26(28)30/h16-17,19-20,33H,2-15,18H2,1H3