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

Systemtic Name: 2-diethylaminoethyl 4-[6-[(5Z)-4-oxidanylidene-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[6-[(5Z)-4-oxo-5-(2-thienylmethylene)-2-thioxo-thiazolidin-3-yl]hexanoylamino]benzoate CAS Name: 4-[[1-oxo-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-3-thiazolidinyl]hexyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoylamino]benzoate Traditional Name: 4-[6-[(5Z)-4-keto-5-(2-thenylidene)-2-thioxo-thiazolidin-3-yl]hexanoylamino]benzoic acid 2-diethylaminoethyl ester Formula: C27H33N3O4S3 MolecularWeight: 559.76362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O4S3/c1-3-29(4-2)16-17-34-26(33)20-11-13-21(14-12-20)28-24(31)10-6-5-7-15-30-25(32)23(37-27(30)35)19-22-9-8-18-36-22/h8-9,11-14,18-19H,3-7,10,15-17H2,1-2H3,(H,28,31)/b23-19-