(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: (7,8-dimethyl-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 (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-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-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C28H22N2O4S MolecularWeight: 482.55028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)C

InChI

InChI=1S/C28H22N2O4S/c1-18-10-12-23-21(15-26(32)34-28(23)19(18)2)17-33-25(31)13-11-20-16-30(22-7-4-3-5-8-22)29-27(20)24-9-6-14-35-24/h3-16H,17H2,1-2H3