methyl 3-[[4-(1,3-dithian-2-yl)phenyl]carbonylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[[4-(1,3-dithian-2-yl)phenyl]carbonylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[[4-(1,3-dithian-2-yl)benzoyl]amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[[4-(1,3-dithian-2-yl)phenyl]-oxomethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(1,3-dithian-2-yl)benzoyl]amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[[4-(1,3-dithian-2-yl)benzoyl]amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C23H26N2O3S2 MolecularWeight: 442.59414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=CC=C(C=C3)C4SCCCS4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=CC=C(C=C3)C4SCCCS4

InChI

InChI=1S/C23H26N2O3S2/c1-28-22(27)18-9-10-20(25-11-2-3-12-25)19(15-18)24-21(26)16-5-7-17(8-6-16)23-29-13-4-14-30-23/h5-10,15,23H,2-4,11-14H2,1H3,(H,24,26)