[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-(thiophene-2-carbonylamino)butanoate CAS Name: 4-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 4-(thiophene-2-carbonylamino)butanoate Traditional Name: 4-(2-thenoylamino)butyric acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C19H21NO4S3 MolecularWeight: 423.56934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)CCCNC(=O)C3=CC=CS3

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)CCCNC(=O)C3=CC=CS3

InChI

InChI=1S/C19H21NO4S3/c1-23-15-12-13(19-26-10-11-27-19)6-7-14(15)24-17(21)5-2-8-20-18(22)16-4-3-9-25-16/h3-4,6-7,9,12,19H,2,5,8,10-11H2,1H3,(H,20,22)