4-[4-(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)pyridin-1-yl]butane-1-sulfonic acid; piperidine

Systemtic Name: 4-[4-(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)pyridin-1-yl]butane-1-sulfonic acid; piperidine Openeye Name: 4-[4-(3-ethyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)-1-pyridyl]butane-1-sulfonic acid; piperidine CAS Name: 4-[4-(3-ethyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)-1-pyridinyl]-1-butanesulfonic acid; piperidine IUPAC Name: 4-[4-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)pyridin-1-yl]butane-1-sulfonic acid; piperidine Traditional Name: 4-[4-(3-ethyl-4-keto-2-thioxo-thiazolidin-5-ylidene)-1-pyridyl]butane-1-sulfonic acid; piperidine Formula: C19H29N3O4S3 MolecularWeight: 459.64626

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C2C=CN(C=C2)CCCCS(=O)(=O)O)SC1=S.C1CCNCC1

Isomeric SMILES

CCN1C(=O)C(=C2C=CN(C=C2)CCCCS(=O)(=O)O)SC1=S.C1CCNCC1

InChI

InChI=1S/C14H18N2O4S3.C5H11N/c1-2-16-13(17)12(22-14(16)21)11-5-8-15(9-6-11)7-3-4-10-23(18,19)20;1-2-4-6-5-3-1/h5-6,8-9H,2-4,7,10H2,1H3,(H,18,19,20);6H,1-5H2