diethylaminomethyl 4-[6-[(5E)-4-oxidanylidene-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoylamino]benzoate

Systemtic Name: diethylaminomethyl 4-[6-[(5E)-4-oxidanylidene-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoylamino]benzoate Openeye Name: diethylaminomethyl 4-[6-[(5E)-4-oxo-5-(2-thienylmethylene)-2-thioxo-thiazolidin-3-yl]hexanoylamino]benzoate CAS Name: 4-[[1-oxo-6-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-3-thiazolidinyl]hexyl]amino]benzoic acid diethylaminomethyl ester IUPAC Name: diethylaminomethyl 4-[6-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoylamino]benzoate Traditional Name: 4-[6-[(5E)-4-keto-5-(2-thenylidene)-2-thioxo-thiazolidin-3-yl]hexanoylamino]benzoic acid diethylaminomethyl ester Formula: C26H31N3O4S3 MolecularWeight: 545.73704

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)COC(=O)C1=CC=C(C=C1)NC(=O)CCCCCN2C(=O)C(=CC3=CC=CS3)SC2=S

Isomeric SMILES

CCN(CC)COC(=O)C1=CC=C(C=C1)NC(=O)CCCCCN2C(=O)/C(=C\C3=CC=CS3)/SC2=S

InChI

InChI=1S/C26H31N3O4S3/c1-3-28(4-2)18-33-25(32)19-11-13-20(14-12-19)27-23(30)10-6-5-7-15-29-24(31)22(36-26(29)34)17-21-9-8-16-35-21/h8-9,11-14,16-17H,3-7,10,15,18H2,1-2H3,(H,27,30)/b22-17+