S-(methylamino) N-[[7-ethoxy-3-[(4-ethyl-3-methyl-5-oxidanylidene-2H-pyrrol-1-yl)carbonylamino]-3,4-dihydro-2H-chromen-6-yl]sulfonyl]carbamothioate

Systemtic Name: S-(methylamino) N-[[7-ethoxy-3-[(4-ethyl-3-methyl-5-oxidanylidene-2H-pyrrol-1-yl)carbonylamino]-3,4-dihydro-2H-chromen-6-yl]sulfonyl]carbamothioate Openeye Name: S-(methylamino) N-[7-ethoxy-3-[(4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carbonyl)amino]chroman-6-yl]sulfonylcarbamothioate CAS Name: N-[[7-ethoxy-3-[[(4-ethyl-3-methyl-5-oxo-2H-pyrrol-1-yl)-oxomethyl]amino]-3,4-dihydro-2H-1-benzopyran-6-yl]sulfonyl]carbamothioic acid S-(methylamino) ester IUPAC Name: S-(methylamino) N-[[7-ethoxy-3-[(4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carbonyl)amino]-3,4-dihydro-2H-chromen-6-yl]sulfonyl]carbamothioate Traditional Name: N-[7-ethoxy-3-[(3-ethyl-2-keto-4-methyl-3-pyrroline-1-carbonyl)amino]chroman-6-yl]sulfonylthiocarbamic acid S-(methylamino) ester Formula: C21H28N4O7S2 MolecularWeight: 512.59962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(CN(C1=O)C(=O)NC2CC3=CC(=C(C=C3OC2)OCC)S(=O)(=O)NC(=O)SNC)C

Isomeric SMILES

CCC1=C(CN(C1=O)C(=O)NC2CC3=CC(=C(C=C3OC2)OCC)S(=O)(=O)NC(=O)SNC)C

InChI

InChI=1S/C21H28N4O7S2/c1-5-15-12(3)10-25(19(15)26)20(27)23-14-7-13-8-18(34(29,30)24-21(28)33-22-4)17(31-6-2)9-16(13)32-11-14/h8-9,14,22H,5-7,10-11H2,1-4H3,(H,23,27)(H,24,28)