(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]acetic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C25H22ClNO5S MolecularWeight: 483.96388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl)C(C)C

InChI

InChI=1S/C25H22ClNO5S/c1-13(2)17-10-18-15(9-21(28)32-19(18)8-14(17)3)12-31-22(29)11-27-25(30)24-23(26)16-6-4-5-7-20(16)33-24/h4-10,13H,11-12H2,1-3H3,(H,27,30)