methylamino 2-[2-(6-methyl-1,3-benzodioxol-5-yl)propanoyl]thiophene-3-sulfinate

Systemtic Name: methylamino 2-[2-(6-methyl-1,3-benzodioxol-5-yl)propanoyl]thiophene-3-sulfinate Openeye Name: methylamino 2-[2-(6-methyl-1,3-benzodioxol-5-yl)propanoyl]thiophene-3-sulfinate CAS Name: 2-[2-(6-methyl-1,3-benzodioxol-5-yl)-1-oxopropyl]-3-thiophenesulfinic acid methylamino ester IUPAC Name: methylamino 2-[2-(6-methyl-1,3-benzodioxol-5-yl)propanoyl]thiophene-3-sulfinate Traditional Name: 2-[2-(6-methyl-1,3-benzodioxol-5-yl)propanoyl]thiophene-3-sulfinic acid methylamino ester Formula: C16H17NO5S2 MolecularWeight: 367.43988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(C)C(=O)C3=C(C=CS3)S(=O)ONC)OCO2

Isomeric SMILES

CC1=CC2=C(C=C1C(C)C(=O)C3=C(C=CS3)S(=O)ONC)OCO2

InChI

InChI=1S/C16H17NO5S2/c1-9-6-12-13(21-8-20-12)7-11(9)10(2)15(18)16-14(4-5-23-16)24(19)22-17-3/h4-7,10,17H,8H2,1-3H3