bis(phenylmethyl) 2-[[5-(ethylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]butanedioate

Systemtic Name: bis(phenylmethyl) 2-[[5-(ethylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]butanedioate Openeye Name: dibenzyl 2-[[5-(ethylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]butanedioate CAS Name: 2-[[[5-(ethylamino)-1,3-benzothiazol-2-yl]thio]methyl]butanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[[5-(ethylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]butanedioate Traditional Name: 2-[[[5-(ethylamino)-1,3-benzothiazol-2-yl]thio]methyl]succinic acid dibenzyl ester Formula: C28H28N2O4S2 MolecularWeight: 520.66292

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC2=C(C=C1)SC(=N2)SCC(CC(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCNC1=CC2=C(C=C1)SC(=N2)SCC(CC(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H28N2O4S2/c1-2-29-23-13-14-25-24(16-23)30-28(36-25)35-19-22(27(32)34-18-21-11-7-4-8-12-21)15-26(31)33-17-20-9-5-3-6-10-20/h3-14,16,22,29H,2,15,17-19H2,1H3