dibutyl 2-[(4-methoxycarbonyl-1,3-benzothiazol-2-yl)sulfanylmethyl]butanedioate

Systemtic Name: dibutyl 2-[(4-methoxycarbonyl-1,3-benzothiazol-2-yl)sulfanylmethyl]butanedioate Openeye Name: dibutyl 2-[(4-methoxycarbonyl-1,3-benzothiazol-2-yl)sulfanylmethyl]butanedioate CAS Name: 2-[[(4-methoxycarbonyl-1,3-benzothiazol-2-yl)thio]methyl]butanedioic acid dibutyl ester IUPAC Name: dibutyl 2-[(4-methoxycarbonyl-1,3-benzothiazol-2-yl)sulfanylmethyl]butanedioate Traditional Name: 2-[[(4-carbomethoxy-1,3-benzothiazol-2-yl)thio]methyl]succinic acid dibutyl ester Formula: C22H29NO6S2 MolecularWeight: 467.59876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC(CSC1=NC2=C(C=CC=C2S1)C(=O)OC)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)CC(CSC1=NC2=C(C=CC=C2S1)C(=O)OC)C(=O)OCCCC

InChI

InChI=1S/C22H29NO6S2/c1-4-6-11-28-18(24)13-15(20(25)29-12-7-5-2)14-30-22-23-19-16(21(26)27-3)9-8-10-17(19)31-22/h8-10,15H,4-7,11-14H2,1-3H3