7-[2-(2-benzamido-1,3-thiazol-5-yl)ethoxy]-2-[(E)-hept-2-enoyl]-3-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate

Systemtic Name: 7-[2-(2-benzamido-1,3-thiazol-5-yl)ethoxy]-2-[(E)-hept-2-enoyl]-3-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate Openeye Name: 7-[2-(2-benzamidothiazol-5-yl)ethoxy]-2-[(E)-hept-2-enoyl]-3-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate CAS Name: 7-[2-(2-benzamido-5-thiazolyl)ethoxy]-3-methyl-2-[(E)-1-oxohept-2-enyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate IUPAC Name: 7-[2-(2-benzamido-1,3-thiazol-5-yl)ethoxy]-2-[(E)-hept-2-enoyl]-3-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate Traditional Name: 7-[2-(2-benzamidothiazol-5-yl)ethoxy]-2-[(E)-hept-2-enoyl]-3-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate Formula: C30H32N3O5S- MolecularWeight: 546.65718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC(=O)N1C(CC2=C(C1C(=O)[O-])C=C(C=C2)OCCC3=CN=C(S3)NC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CCCC/C=C/C(=O)N1C(CC2=C(C1C(=O)[O-])C=C(C=C2)OCCC3=CN=C(S3)NC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C30H33N3O5S/c1-3-4-5-9-12-26(34)33-20(2)17-22-13-14-23(18-25(22)27(33)29(36)37)38-16-15-24-19-31-30(39-24)32-28(35)21-10-7-6-8-11-21/h6-14,18-20,27H,3-5,15-17H2,1-2H3,(H,36,37)(H,31,32,35)/p-1/b12-9+