methyl 3-[2-[(2S)-1-(3,4-dimethylphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[(2S)-1-(3,4-dimethylphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[(2S)-1-(3,4-dimethylbenzoyl)-3-oxo-piperazin-2-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[(2S)-1-[(3,4-dimethylphenyl)-oxomethyl]-3-oxo-2-piperazinyl]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(2S)-1-(3,4-dimethylbenzoyl)-3-oxopiperazin-2-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(2S)-1-(3,4-dimethylbenzoyl)-3-keto-piperazin-2-yl]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)NC3=C(SC=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCNC(=O)[C@@H]2CC(=O)NC3=C(SC=C3)C(=O)OC)C

InChI

InChI=1S/C21H23N3O5S/c1-12-4-5-14(10-13(12)2)20(27)24-8-7-22-19(26)16(24)11-17(25)23-15-6-9-30-18(15)21(28)29-3/h4-6,9-10,16H,7-8,11H2,1-3H3,(H,22,26)(H,23,25)/t16-/m0/s1