2-methoxyethyl 5-aminocarbonyl-4-methyl-2-[2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: 2-methoxyethyl 5-aminocarbonyl-4-methyl-2-[2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: 2-methoxyethyl 2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[1-oxo-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]amino]-3-thiophenecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid 2-methoxyethyl ester Formula: C24H32N4O5S MolecularWeight: 488.59968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCCOC)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCCOC)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C24H32N4O5S/c1-17-20(24(31)33-14-13-32-2)23(34-21(17)22(25)30)26-19(29)16-28-10-6-9-27(11-12-28)15-18-7-4-3-5-8-18/h3-5,7-8H,6,9-16H2,1-2H3,(H2,25,30)(H,26,29)