ethyl 4-cyano-5-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2-[4-[(2-methoxyphenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-(4-o-anisylpiperazino)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3OC)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3OC)C#N)C

InChI

InChI=1S/C23H28N4O4S/c1-4-31-23(29)21-16(2)18(13-24)22(32-21)25-20(28)15-27-11-9-26(10-12-27)14-17-7-5-6-8-19(17)30-3/h5-8H,4,9-12,14-15H2,1-3H3,(H,25,28)