[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(cyclopropylcarbonylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(cyclopropylcarbonylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(cyclopropanecarbonylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[cyclopropyl(oxo)methyl]amino]-4-phenyl-3-thiophenecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(cyclopropanecarbonylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(cyclopropanecarbonylamino)-4-phenyl-thiophene-3-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3CC3

Isomeric SMILES

C#CCNC(=O)COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3CC3

InChI

InChI=1S/C20H18N2O4S/c1-2-10-21-16(23)11-26-20(25)17-15(13-6-4-3-5-7-13)12-27-19(17)22-18(24)14-8-9-14/h1,3-7,12,14H,8-11H2,(H,21,23)(H,22,24)