[4-[(Z)-(4-oxidanylidene-2-piperidin-1-yl-1,3-thiazol-5-ylidene)methyl]phenyl] ethanoate hydrate

Systemtic Name: [4-[(Z)-(4-oxidanylidene-2-piperidin-1-yl-1,3-thiazol-5-ylidene)methyl]phenyl] ethanoate hydrate Openeye Name: [4-[(Z)-[4-oxo-2-(1-piperidyl)thiazol-5-ylidene]methyl]phenyl] acetate hydrate CAS Name: acetic acid [4-[(Z)-[4-oxo-2-(1-piperidinyl)-5-thiazolylidene]methyl]phenyl] ester hydrate IUPAC Name: [4-[(Z)-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-ylidene)methyl]phenyl] acetate hydrate Traditional Name: acetic acid [4-[(Z)-(4-keto-2-piperidino-2-thiazolin-5-ylidene)methyl]phenyl] ester hydrate Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C=C2C(=O)N=C(S2)N3CCCCC3.O

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)N3CCCCC3.O

InChI

InChI=1S/C17H18N2O3S.H2O/c1-12(20)22-14-7-5-13(6-8-14)11-15-16(21)18-17(23-15)19-9-3-2-4-10-19;/h5-8,11H,2-4,9-10H2,1H3;1H2/b15-11-;