[4-(5,6-dimethoxy-4-oxidanylidene-7-propan-2-yloxy-chromen-2-yl)sulfanylphenyl] N,N-bis(cyanomethyl)carbamate

Systemtic Name: [4-(5,6-dimethoxy-4-oxidanylidene-7-propan-2-yloxy-chromen-2-yl)sulfanylphenyl] N,N-bis(cyanomethyl)carbamate Openeye Name: [4-(7-isopropoxy-5,6-dimethoxy-4-oxo-chromen-2-yl)sulfanylphenyl] N,N-bis(cyanomethyl)carbamate CAS Name: N,N-bis(cyanomethyl)carbamic acid [4-[(5,6-dimethoxy-4-oxo-7-propan-2-yloxy-1-benzopyran-2-yl)thio]phenyl] ester IUPAC Name: [4-(5,6-dimethoxy-4-oxo-7-propan-2-yloxychromen-2-yl)sulfanylphenyl] N,N-bis(cyanomethyl)carbamate Traditional Name: N,N-bis(cyanomethyl)carbamic acid [4-[(7-isopropoxy-4-keto-5,6-dimethoxy-chromen-2-yl)thio]phenyl] ester Formula: C25H23N3O7S MolecularWeight: 509.53102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=C2C(=C1)OC(=CC2=O)SC3=CC=C(C=C3)OC(=O)N(CC#N)CC#N)OC)OC

Isomeric SMILES

CC(C)OC1=C(C(=C2C(=C1)OC(=CC2=O)SC3=CC=C(C=C3)OC(=O)N(CC#N)CC#N)OC)OC

InChI

InChI=1S/C25H23N3O7S/c1-15(2)33-20-14-19-22(24(32-4)23(20)31-3)18(29)13-21(35-19)36-17-7-5-16(6-8-17)34-25(30)28(11-9-26)12-10-27/h5-8,13-15H,11-12H2,1-4H3