methyl 3-azanyl-2,5-dimethyl-1,1-bis(oxidanylidene)-1-benzothiophene-6-carboxylate

Systemtic Name: methyl 3-azanyl-2,5-dimethyl-1,1-bis(oxidanylidene)-1-benzothiophene-6-carboxylate Openeye Name: methyl 3-amino-2,5-dimethyl-1,1-dioxo-benzothiophene-6-carboxylate CAS Name: 3-amino-2,5-dimethyl-1,1-dioxo-1-benzothiophene-6-carboxylic acid methyl ester IUPAC Name: methyl 3-amino-2,5-dimethyl-1,1-dioxo-1-benzothiophene-6-carboxylate Traditional Name: 3-amino-1,1-diketo-2,5-dimethyl-benzothiophene-6-carboxylic acid methyl ester Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(S2(=O)=O)C)N)C(=O)OC

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(S2(=O)=O)C)N)C(=O)OC

InChI

InChI=1S/C12H13NO4S/c1-6-4-9-10(5-8(6)12(14)17-3)18(15,16)7(2)11(9)13/h4-5H,13H2,1-3H3