ethyl 2-azanylidene-3-(1,3-benzothiazol-2-yl)-5-methyl-1-(phenylcarbamoylamino)-3H-pyrrole-4-carboxylate

Systemtic Name: ethyl 2-azanylidene-3-(1,3-benzothiazol-2-yl)-5-methyl-1-(phenylcarbamoylamino)-3H-pyrrole-4-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-2-imino-5-methyl-1-(phenylcarbamoylamino)-3H-pyrrole-4-carboxylate CAS Name: 1-[[anilino(oxo)methyl]amino]-3-(1,3-benzothiazol-2-yl)-2-imino-5-methyl-3H-pyrrole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-2-imino-5-methyl-1-(phenylcarbamoylamino)-3H-pyrrole-4-carboxylate Traditional Name: 4-(1,3-benzothiazol-2-yl)-5-imino-2-methyl-1-(phenylcarbamoylamino)-2-pyrroline-3-carboxylic acid ethyl ester Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=N)C1C2=NC3=CC=CC=C3S2)NC(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=N)C1C2=NC3=CC=CC=C3S2)NC(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C22H21N5O3S/c1-3-30-21(28)17-13(2)27(26-22(29)24-14-9-5-4-6-10-14)19(23)18(17)20-25-15-11-7-8-12-16(15)31-20/h4-12,18,23H,3H2,1-2H3,(H2,24,26,29)