methyl 3-[3-[[3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoate

Systemtic Name: methyl 3-[3-[[3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoate Openeye Name: methyl 3-[3-[[3-[2-(azepan-1-yl)-2-oxo-ethyl]-2,4-dioxo-thiazolidin-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoate CAS Name: 3-[3-[[3-[2-(1-azepanyl)-2-oxoethyl]-2,4-dioxo-5-thiazolidinylidene]methyl]-2,5-dimethyl-1-pyrrolyl]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[3-[[3-[2-(azepan-1-yl)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]-2-methylbenzoate Traditional Name: 3-[3-[[3-[2-(azepan-1-yl)-2-keto-ethyl]-2,4-diketo-thiazolidin-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoic acid methyl ester Formula: C27H31N3O5S MolecularWeight: 509.61714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)OC)C)C=C3C(=O)N(C(=O)S3)CC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)OC)C)C=C3C(=O)N(C(=O)S3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C27H31N3O5S/c1-17-14-20(19(3)30(17)22-11-9-10-21(18(22)2)26(33)35-4)15-23-25(32)29(27(34)36-23)16-24(31)28-12-7-5-6-8-13-28/h9-11,14-15H,5-8,12-13,16H2,1-4H3