ethyl 3-[1-(6-cyano-2,2-dimethyl-chromen-4-yl)-2-oxidanylidene-pyridin-4-yl]-3-phenoxycarbothioyloxy-propanoate

Systemtic Name: ethyl 3-[1-(6-cyano-2,2-dimethyl-chromen-4-yl)-2-oxidanylidene-pyridin-4-yl]-3-phenoxycarbothioyloxy-propanoate Openeye Name: ethyl 3-[1-(6-cyano-2,2-dimethyl-chromen-4-yl)-2-oxo-4-pyridyl]-3-phenoxycarbothioyloxy-propanoate CAS Name: 3-[1-(6-cyano-2,2-dimethyl-1-benzopyran-4-yl)-2-oxo-4-pyridinyl]-3-[phenoxy(sulfanylidene)methoxy]propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxopyridin-4-yl]-3-phenoxycarbothioyloxypropanoate Traditional Name: 3-[1-(6-cyano-2,2-dimethyl-chromen-4-yl)-2-keto-4-pyridyl]-3-phenoxycarbothioyloxy-propionic acid ethyl ester Formula: C29H26N2O6S MolecularWeight: 530.59154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC(=O)N(C=C1)C2=CC(OC3=C2C=C(C=C3)C#N)(C)C)OC(=S)OC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC(C1=CC(=O)N(C=C1)C2=CC(OC3=C2C=C(C=C3)C#N)(C)C)OC(=S)OC4=CC=CC=C4

InChI

InChI=1S/C29H26N2O6S/c1-4-34-27(33)16-25(36-28(38)35-21-8-6-5-7-9-21)20-12-13-31(26(32)15-20)23-17-29(2,3)37-24-11-10-19(18-30)14-22(23)24/h5-15,17,25H,4,16H2,1-3H3