2-azanyl-N-[2-methoxy-5-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]phenyl]-3-sulfanyl-propanamide

Systemtic Name: 2-azanyl-N-[2-methoxy-5-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]phenyl]-3-sulfanyl-propanamide Openeye Name: 2-amino-N-[2-methoxy-5-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)vinyl]phenyl]-3-sulfanyl-propanamide CAS Name: 2-amino-3-mercapto-N-[2-methoxy-5-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]phenyl]propanamide IUPAC Name: 2-amino-N-[2-methoxy-5-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]phenyl]-3-sulfanylpropanamide Traditional Name: 2-amino-3-mercapto-N-[2-methoxy-5-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)vinyl]phenyl]propionamide Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC2=CC3=C(C(=C2)OC)OCO3)NC(=O)C(CS)N

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C\C2=CC3=C(C(=C2)OC)OCO3)NC(=O)C(CS)N

InChI

InChI=1S/C20H22N2O5S/c1-24-16-6-5-12(7-15(16)22-20(23)14(21)10-28)3-4-13-8-17(25-2)19-18(9-13)26-11-27-19/h3-9,14,28H,10-11,21H2,1-2H3,(H,22,23)/b4-3-