2-[(6-cyclohexyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid

Systemtic Name: 2-[(6-cyclohexyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid Openeye Name: 2-[(6-cyclohexyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid CAS Name: 2-[(6-cyclohexyl-1,3-benzothiazol-2-yl)thio]butanedioic acid IUPAC Name: 2-[(6-cyclohexyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid Traditional Name: 2-[(6-cyclohexyl-1,3-benzothiazol-2-yl)thio]succinic acid Formula: C17H19NO4S2 MolecularWeight: 365.46706

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC3=C(C=C2)N=C(S3)SC(CC(=O)O)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=CC3=C(C=C2)N=C(S3)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C17H19NO4S2/c19-15(20)9-14(16(21)22)24-17-18-12-7-6-11(8-13(12)23-17)10-4-2-1-3-5-10/h6-8,10,14H,1-5,9H2,(H,19,20)(H,21,22)