3-[[5-(aminomethyl)thiophen-2-yl]-cyclopropyl-methoxy]-6-(1-phenylbutan-2-yl)pyran-2-one

Systemtic Name: 3-[[5-(aminomethyl)thiophen-2-yl]-cyclopropyl-methoxy]-6-(1-phenylbutan-2-yl)pyran-2-one Openeye Name: 3-[[5-(aminomethyl)-2-thienyl]-cyclopropyl-methoxy]-6-(1-benzylpropyl)pyran-2-one CAS Name: 3-[[5-(aminomethyl)-2-thiophenyl]-cyclopropylmethoxy]-6-(1-phenylbutan-2-yl)-2-pyranone IUPAC Name: 3-[[5-(aminomethyl)thiophen-2-yl]-cyclopropylmethoxy]-6-(1-phenylbutan-2-yl)pyran-2-one Traditional Name: 3-[[5-(aminomethyl)-2-thienyl]-cyclopropyl-methoxy]-6-(1-benzylpropyl)pyran-2-one Formula: C24H27NO3S MolecularWeight: 409.54108

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)C2=CC=C(C(=O)O2)OC(C3CC3)C4=CC=C(S4)CN

Isomeric SMILES

CCC(CC1=CC=CC=C1)C2=CC=C(C(=O)O2)OC(C3CC3)C4=CC=C(S4)CN

InChI

InChI=1S/C24H27NO3S/c1-2-17(14-16-6-4-3-5-7-16)20-11-12-21(24(26)28-20)27-23(18-8-9-18)22-13-10-19(15-25)29-22/h3-7,10-13,17-18,23H,2,8-9,14-15,25H2,1H3