1,3-benzothiazol-2-ylmethyl 3-[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-[3-(2-oxochromen-3-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(2-oxo-1-benzopyran-3-yl)-1-phenyl-4-pyrazolyl]-2-propenoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[3-(2-ketochromen-3-yl)-1-phenyl-pyrazol-4-yl]acrylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C29H19N3O4S MolecularWeight: 505.54386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4OC3=O)C=CC(=O)OCC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4OC3=O)C=CC(=O)OCC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C29H19N3O4S/c33-27(35-18-26-30-23-11-5-7-13-25(23)37-26)15-14-20-17-32(21-9-2-1-3-10-21)31-28(20)22-16-19-8-4-6-12-24(19)36-29(22)34/h1-17H,18H2