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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: (6-chloro-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 (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-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 (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C27H19ClN2O4S MolecularWeight: 502.96876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C27H19ClN2O4S/c1-17-12-23-21(14-22(17)28)19(13-26(32)34-23)16-33-25(31)10-9-18-15-30(20-6-3-2-4-7-20)29-27(18)24-8-5-11-35-24/h2-15H,16H2,1H3