dimethyl 3-methyl-5-[2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5S/c1-16-19(22(28)30-2)21(32-20(16)23(29)31-3)24-18(27)15-26-11-7-10-25(12-13-26)14-17-8-5-4-6-9-17/h4-6,8-9H,7,10-15H2,1-3H3,(H,24,27)