methyl 2-[[3,5-bis(chloranyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methylamino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: methyl 2-[[3,5-bis(chloranyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methylamino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: methyl 2-[(3,5-dichloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-[(3,5-dichloro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 2-[(3,5-dichloro-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid methyl ester Formula: C17H17Cl2N2O3S+ MolecularWeight: 400.29948

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1)SC(=C2C(=O)OC)NC=C3C=C(C=C(C3=O)Cl)Cl

Isomeric SMILES

C[NH+]1CCC2=C(C1)SC(=C2C(=O)OC)NC=C3C=C(C=C(C3=O)Cl)Cl

InChI

InChI=1S/C17H16Cl2N2O3S/c1-21-4-3-11-13(8-21)25-16(14(11)17(23)24-2)20-7-9-5-10(18)6-12(19)15(9)22/h5-7,20H,3-4,8H2,1-2H3/p+1