methyl 3-[3-(naphthalen-2-ylcarbonylamino)propanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[3-(naphthalen-2-ylcarbonylamino)propanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[3-(naphthalene-2-carbonylamino)propanoylamino]-3-(2-thienyl)propanoate CAS Name: 3-[[3-[[2-naphthalenyl(oxo)methyl]amino]-1-oxopropyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-(naphthalene-2-carbonylamino)propanoylamino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[3-(2-naphthoylamino)propanoylamino]-3-(2-thienyl)propionic acid methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)CCNC(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)CCNC(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H22N2O4S/c1-28-21(26)14-18(19-7-4-12-29-19)24-20(25)10-11-23-22(27)17-9-8-15-5-2-3-6-16(15)13-17/h2-9,12-13,18H,10-11,14H2,1H3,(H,23,27)(H,24,25)