methyl 3-[2-[2-[2-(prop-2-enylamino)ethanoylamino]phenyl]sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[2-[2-(prop-2-enylamino)ethanoylamino]phenyl]sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[2-[[2-(allylamino)acetyl]amino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-[[2-[[1-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]thio]ethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[2-[[2-(prop-2-enylamino)acetyl]amino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[[2-[[2-(allylamino)acetyl]amino]phenyl]thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CSC2=CC=CC=C2NC(=O)CNCC=C

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CSC2=CC=CC=C2NC(=O)CNCC=C

InChI

InChI=1S/C19H21N3O4S2/c1-3-9-20-11-16(23)21-13-6-4-5-7-15(13)28-12-17(24)22-14-8-10-27-18(14)19(25)26-2/h3-8,10,20H,1,9,11-12H2,2H3,(H,21,23)(H,22,24)