(4-oxidanylidene-4-thiophen-2-yl-butyl) (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C=CC(=O)OCCCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)/C=C/C(=O)OCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C21H20N2O3S/c24-19(20-9-5-13-27-20)8-4-12-26-21(25)11-10-18-14-22-23(16-18)15-17-6-2-1-3-7-17/h1-3,5-7,9-11,13-14,16H,4,8,12,15H2/b11-10+