ethyl 4-methyl-2-[(4E)-3-methylidene-5-oxidanylidene-4-[(4-prop-2-ynoxyphenyl)methylidene]pyrazolidin-1-yl]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(4E)-3-methylidene-5-oxidanylidene-4-[(4-prop-2-ynoxyphenyl)methylidene]pyrazolidin-1-yl]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[(4E)-3-methylene-5-oxo-4-[(4-prop-2-ynoxyphenyl)methylene]pyrazolidin-1-yl]thiazole-5-carboxylate CAS Name: 4-methyl-2-[(4E)-3-methylene-5-oxo-4-[(4-prop-2-ynoxyphenyl)methylidene]-1-pyrazolidinyl]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(4E)-3-methylidene-5-oxo-4-[(4-prop-2-ynoxyphenyl)methylidene]pyrazolidin-1-yl]-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4E)-5-keto-3-methylene-4-(4-propargyloxybenzylidene)pyrazolidin-1-yl]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)N2C(=O)C(=CC3=CC=C(C=C3)OCC#C)C(=C)N2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)N2C(=O)/C(=C/C3=CC=C(C=C3)OCC#C)/C(=C)N2)C

InChI

InChI=1S/C21H19N3O4S/c1-5-11-28-16-9-7-15(8-10-16)12-17-13(3)23-24(19(17)25)21-22-14(4)18(29-21)20(26)27-6-2/h1,7-10,12,23H,3,6,11H2,2,4H3/b17-12+