(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoate CAS Name: 3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate Traditional Name: 3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C27H20N2O4S MolecularWeight: 468.5237

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C27H20N2O4S/c1-18-9-11-22-20(15-26(31)33-23(22)14-18)17-32-25(30)12-10-19-16-29(21-6-3-2-4-7-21)28-27(19)24-8-5-13-34-24/h2-16H,17H2,1H3