(E)-4-oxidanylidene-4-(3-phenyl-3-thiophen-2-yl-propoxy)but-2-enoate; pyrrolidine

Systemtic Name: (E)-4-oxidanylidene-4-(3-phenyl-3-thiophen-2-yl-propoxy)but-2-enoate; pyrrolidine Openeye Name: (E)-4-oxo-4-[3-phenyl-3-(2-thienyl)propoxy]but-2-enoate; pyrrolidine CAS Name: (E)-4-oxo-4-(3-phenyl-3-thiophen-2-ylpropoxy)-2-butenoate; pyrrolidine IUPAC Name: (E)-4-oxo-4-(3-phenyl-3-thiophen-2-ylpropoxy)but-2-enoate; pyrrolidine Traditional Name: (E)-4-keto-4-[3-phenyl-3-(2-thienyl)propoxy]but-2-enoate; pyrrolidine Formula: C21H24NO4S- MolecularWeight: 386.48456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC1.C1=CC=C(C=C1)C(CCOC(=O)C=CC(=O)[O-])C2=CC=CS2

Isomeric SMILES

C1CCNC1.C1=CC=C(C=C1)C(CCOC(=O)/C=C/C(=O)[O-])C2=CC=CS2

InChI

InChI=1S/C17H16O4S.C4H9N/c18-16(19)8-9-17(20)21-11-10-14(15-7-4-12-22-15)13-5-2-1-3-6-13;1-2-4-5-3-1/h1-9,12,14H,10-11H2,(H,18,19);5H,1-4H2/p-1/b9-8+;