2-[3-[(3-methoxycarbonylphenyl)iminomethyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 2-[3-[(3-methoxycarbonylphenyl)iminomethyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-[3-[(3-methoxycarbonylphenyl)iminomethyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[3-[(3-methoxycarbonylphenyl)iminomethyl]-2,5-dimethyl-1-pyrrolyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-[3-[(3-methoxycarbonylphenyl)iminomethyl]-2,5-dimethylpyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-[(3-carbomethoxyphenyl)iminomethyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C24H23N2O4S- MolecularWeight: 435.51542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C(=O)[O-])C)C=NC4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C(=O)[O-])C)C=NC4=CC=CC(=C4)C(=O)OC

InChI

InChI=1S/C24H24N2O4S/c1-14-11-17(13-25-18-8-6-7-16(12-18)24(29)30-3)15(2)26(14)22-21(23(27)28)19-9-4-5-10-20(19)31-22/h6-8,11-13H,4-5,9-10H2,1-3H3,(H,27,28)/p-1