methyl 4-[7-chloranyl-3,9-bis(oxidanylidene)-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[7-chloranyl-3,9-bis(oxidanylidene)-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate Openeye Name: methyl 4-[7-chloro-3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate CAS Name: 4-[7-chloro-3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1H-[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[7-chloro-3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate Traditional Name: 4-[7-chloro-3,9-diketo-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrol-1-yl]benzoic acid methyl ester Formula: C21H12ClN3O5S MolecularWeight: 453.85508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C3=C(C(=O)N2C4=NN=CS4)OC5=C(C3=O)C=C(C=C5)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C3=C(C(=O)N2C4=NN=CS4)OC5=C(C3=O)C=C(C=C5)Cl

InChI

InChI=1S/C21H12ClN3O5S/c1-29-20(28)11-4-2-10(3-5-11)16-15-17(26)13-8-12(22)6-7-14(13)30-18(15)19(27)25(16)21-24-23-9-31-21/h2-9,16H,1H3