ethyl 2-azanyl-4-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: ethyl 2-amino-4-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate CAS Name: 2-amino-4-[3-[(1,3-benzothiazol-2-ylthio)methyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Traditional Name: 2-amino-4-[3-[(1,3-benzothiazol-2-ylthio)methyl]-2,5-dimethyl-phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carboxylic acid ethyl ester Formula: C30H32N2O4S2 MolecularWeight: 548.71608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=CC(=CC(=C3C)CSC4=NC5=CC=CC=C5S4)C)C(=O)CC(C2)(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C3=CC(=CC(=C3C)CSC4=NC5=CC=CC=C5S4)C)C(=O)CC(C2)(C)C)N

InChI

InChI=1S/C30H32N2O4S2/c1-6-35-28(34)26-24(25-21(33)13-30(4,5)14-22(25)36-27(26)31)19-12-16(2)11-18(17(19)3)15-37-29-32-20-9-7-8-10-23(20)38-29/h7-12,24H,6,13-15,31H2,1-5H3