[2-methyl-7-[[3-(prop-2-enoxymethyl)-5-thiophen-3-yl-furan-2-yl]methylamino]hepta-3,5-diyn-2-yl] ethanoate

Systemtic Name: [2-methyl-7-[[3-(prop-2-enoxymethyl)-5-thiophen-3-yl-furan-2-yl]methylamino]hepta-3,5-diyn-2-yl] ethanoate Openeye Name: [6-[[3-(allyloxymethyl)-5-(3-thienyl)-2-furyl]methylamino]-1,1-dimethyl-hexa-2,4-diynyl] acetate CAS Name: acetic acid [2-methyl-7-[[3-(prop-2-enoxymethyl)-5-(3-thiophenyl)-2-furanyl]methylamino]hepta-3,5-diyn-2-yl] ester IUPAC Name: [2-methyl-7-[[3-(prop-2-enoxymethyl)-5-thiophen-3-ylfuran-2-yl]methylamino]hepta-3,5-diyn-2-yl] acetate Traditional Name: acetic acid [6-[[3-(allyloxymethyl)-5-(3-thienyl)-2-furyl]methylamino]-1,1-dimethyl-hexa-2,4-diynyl] ester Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C)(C)C#CC#CCNCC1=C(C=C(O1)C2=CSC=C2)COCC=C

Isomeric SMILES

CC(=O)OC(C)(C)C#CC#CCNCC1=C(C=C(O1)C2=CSC=C2)COCC=C

InChI

InChI=1S/C23H25NO4S/c1-5-12-26-16-20-14-21(19-9-13-29-17-19)27-22(20)15-24-11-8-6-7-10-23(3,4)28-18(2)25/h5,9,13-14,17,24H,1,11-12,15-16H2,2-4H3