methyl 3-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[3-(7-methoxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]thiophene-2-carboxylate CAS Name: 3-[[3-(7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]thiophene-2-carboxylate Traditional Name: 3-[3-(2-keto-7-methoxy-4-methyl-chromen-3-yl)propanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C20H19NO6S MolecularWeight: 401.43296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C20H19NO6S/c1-11-13-5-4-12(25-2)10-16(13)27-19(23)14(11)6-7-17(22)21-15-8-9-28-18(15)20(24)26-3/h4-5,8-10H,6-7H2,1-3H3,(H,21,22)