methyl 2-[(1,8-dimethyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)carbonylamino]benzoate

Systemtic Name: methyl 2-[(1,8-dimethyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)carbonylamino]benzoate Openeye Name: methyl 2-[(1,8-dimethyl-4H-thiochromeno[4,3-c]pyrazole-3-carbonyl)amino]benzoate CAS Name: 2-[[(1,8-dimethyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(1,8-dimethyl-4H-thiochromeno[4,3-c]pyrazole-3-carbonyl)amino]benzoate Traditional Name: 2-[(1,8-dimethyl-4H-thiochromeno[4,3-c]pyrazole-3-carbonyl)amino]benzoic acid methyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SCC3=C2N(N=C3C(=O)NC4=CC=CC=C4C(=O)OC)C

Isomeric SMILES

CC1=CC2=C(C=C1)SCC3=C2N(N=C3C(=O)NC4=CC=CC=C4C(=O)OC)C

InChI

InChI=1S/C21H19N3O3S/c1-12-8-9-17-14(10-12)19-15(11-28-17)18(23-24(19)2)20(25)22-16-7-5-4-6-13(16)21(26)27-3/h4-10H,11H2,1-3H3,(H,22,25)