methyl 10-chloranyl-1-methyl-5,5-bis(oxidanylidene)-8-(propanoylamino)-6H-benzo[b][1,5]benzoxathiepine-3-carboxylate

Systemtic Name: methyl 10-chloranyl-1-methyl-5,5-bis(oxidanylidene)-8-(propanoylamino)-6H-benzo[b][1,5]benzoxathiepine-3-carboxylate Openeye Name: methyl 10-chloro-1-methyl-5,5-dioxo-8-(propanoylamino)-6H-benzo[b][1,5]benzoxathiepine-3-carboxylate CAS Name: 10-chloro-1-methyl-5,5-dioxo-8-(1-oxopropylamino)-6H-benzo[b][1,5]benzoxathiepin-3-carboxylic acid methyl ester IUPAC Name: methyl 10-chloro-1-methyl-5,5-dioxo-8-(propanoylamino)-6H-benzo[b][1,5]benzoxathiepine-3-carboxylate Traditional Name: 10-chloro-5,5-diketo-1-methyl-8-propionamido-6H-benzo[b][1,5]benzoxathiepin-3-carboxylic acid methyl ester Formula: C19H18ClNO6S MolecularWeight: 423.86732

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C2C(=C1)CS(=O)(=O)C3=CC(=CC(=C3O2)C)C(=O)OC)Cl

Isomeric SMILES

CCC(=O)NC1=CC(=C2C(=C1)CS(=O)(=O)C3=CC(=CC(=C3O2)C)C(=O)OC)Cl

InChI

InChI=1S/C19H18ClNO6S/c1-4-16(22)21-13-6-12-9-28(24,25)15-7-11(19(23)26-3)5-10(2)17(15)27-18(12)14(20)8-13/h5-8H,4,9H2,1-3H3,(H,21,22)