ethyl 5-(1,3-benzodioxol-5-yl)-3-[3-(2,2-dimethylpropanoylamino)propanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-yl)-3-[3-(2,2-dimethylpropanoylamino)propanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-yl)-3-[3-(2,2-dimethylpropanoylamino)propanoylamino]thiophene-2-carboxylate CAS Name: 5-(1,3-benzodioxol-5-yl)-3-[[3-[(2,2-dimethyl-1-oxopropyl)amino]-1-oxopropyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-yl)-3-[3-(2,2-dimethylpropanoylamino)propanoylamino]thiophene-2-carboxylate Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-[3-(pivaloylamino)propanoylamino]thiophene-2-carboxylic acid ethyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC3=C(C=C2)OCO3)NC(=O)CCNC(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC3=C(C=C2)OCO3)NC(=O)CCNC(=O)C(C)(C)C

InChI

InChI=1S/C22H26N2O6S/c1-5-28-20(26)19-14(24-18(25)8-9-23-21(27)22(2,3)4)11-17(31-19)13-6-7-15-16(10-13)30-12-29-15/h6-7,10-11H,5,8-9,12H2,1-4H3,(H,23,27)(H,24,25)