4-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl-methyl-amino]-4,5,6,7-tetrahydro-1,2-benzoxazol-3-one

Systemtic Name: 4-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl-methyl-amino]-4,5,6,7-tetrahydro-1,2-benzoxazol-3-one Openeye Name: 4-[4,4-bis(3-methyl-2-thienyl)but-3-enyl-methyl-amino]-4,5,6,7-tetrahydro-1,2-benzoxazol-3-one CAS Name: 4-[4,4-bis(3-methyl-2-thiophenyl)but-3-enyl-methylamino]-4,5,6,7-tetrahydro-1,2-benzoxazol-3-one IUPAC Name: 4-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl-methylamino]-4,5,6,7-tetrahydro-1,2-benzoxazol-3-one Traditional Name: 4-[4,4-bis(3-methyl-2-thienyl)but-3-enyl-methyl-amino]-4,5,6,7-tetrahydroindoxazen-3-one Formula: C22H26N2O2S2 MolecularWeight: 414.58404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=CCCN(C)C2CCCC3=C2C(=O)NO3)C4=C(C=CS4)C

Isomeric SMILES

CC1=C(SC=C1)C(=CCCN(C)C2CCCC3=C2C(=O)NO3)C4=C(C=CS4)C

InChI

InChI=1S/C22H26N2O2S2/c1-14-9-12-27-20(14)16(21-15(2)10-13-28-21)6-5-11-24(3)17-7-4-8-18-19(17)22(25)23-26-18/h6,9-10,12-13,17H,4-5,7-8,11H2,1-3H3,(H,23,25)