(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[3-(thiophen-2-ylsulfonylamino)propanoyl]azanium

Systemtic Name: (4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[3-(thiophen-2-ylsulfonylamino)propanoyl]azanium Openeye Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[3-(2-thienylsulfonylamino)propanoyl]ammonium CAS Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-[1-oxo-3-(thiophen-2-ylsulfonylamino)propyl]ammonium IUPAC Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[3-(thiophen-2-ylsulfonylamino)propanoyl]azanium Traditional Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[3-(2-thienylsulfonylamino)propanoyl]ammonium Formula: C17H21N2O5S2+ MolecularWeight: 397.48904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=O)CCNS(=O)(=O)C3=CC=CS3)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=O)CCNS(=O)(=O)C3=CC=CS3)CC2OC(=C1)O

InChI

InChI=1S/C17H20N2O5S2/c1-11-9-16(21)24-14-10-12(4-5-13(11)14)19-15(20)6-7-18-26(22,23)17-3-2-8-25-17/h2-3,8-9,14,18,21H,4-7,10H2,1H3/p+1